REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1y8q_1_B DATA FIRST_RESID 6 DATA SEQUENCE GLPRELAEAV AGGRVLVVGA GGIGCELLKN LVLTGFSHID LIDLDTIDVS DATA SEQUENCE NLNRQFLFQK KHVGRSKAQV AKESVLQFYP KANIVAYHDS IMNPDYNVEF DATA SEQUENCE FRQFILVMNA LDNRAARNHV NRMCLAADVP LIESGTAGYL GQVTTIKKGV DATA SEQUENCE TECYECHPKP TQRTFPGATI RNTPSEPIHC IVWAKYLFNQ LFGEEDADQE DATA SEQUENCE VSPDRADPEA AWEXXXXXXX XXXXXXXXXX XXXXTKEWAK STGYDPVKLF DATA SEQUENCE TKLFKDDIRY LLTMDKLWRK RKPPVPLDWA EVQSQXXXXX XXXXXXXXXL DATA SEQUENCE GLKDQQVLDV KSYARLFSKS IETLRVHLAE KGDGAELIWD KDDPSAMDFV DATA SEQUENCE TSAANLRMHI FSMNMKSRFD IKSMAGNIIP AIATTNAVIA GLIVLEGLKI DATA SEQUENCE LSGKIDQCRT IFLNKQPNPR KKLLVPCALD PPNPNCYVCA SKPEVTVRLN DATA SEQUENCE VHKVTVLTLQ DKIVKEKFAM VAPDVQIEDG KGTILISSEE GETEANNHKK DATA SEQUENCE LSEFGIRNGS RLQADDFLQD YTLLINILHS EDLGKDVEFE VVGDA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 6 G C 0.000 174.899 174.900 -0.002 0.000 0.946 6 G CA 0.000 45.100 45.100 0.001 0.000 0.502 7 L N -0.503 120.716 121.223 -0.006 0.000 4.127 7 L HA 0.192 4.532 4.340 -0.000 0.000 0.417 7 L C -1.338 175.528 176.870 -0.006 0.000 0.966 7 L CA -0.110 54.725 54.840 -0.009 0.000 1.651 7 L CB 0.983 43.026 42.059 -0.026 0.000 2.127 7 L HN 0.521 nan 8.230 nan 0.000 0.623 8 P HA 0.201 nan 4.420 nan 0.000 0.328 8 P C 0.760 178.052 177.300 -0.013 0.000 1.399 8 P CA -0.088 63.008 63.100 -0.007 0.000 0.872 8 P CB 0.674 32.372 31.700 -0.003 0.000 2.162 9 R N 0.077 120.571 120.500 -0.010 0.000 2.092 9 R HA -0.120 4.220 4.340 -0.000 0.000 0.226 9 R C 2.284 178.574 176.300 -0.017 0.000 1.140 9 R CA 1.825 57.917 56.100 -0.012 0.000 0.910 9 R CB -1.366 28.929 30.300 -0.008 0.000 0.822 9 R HN 0.524 nan 8.270 nan 0.000 0.433 10 E N 0.610 120.803 120.200 -0.012 0.000 2.253 10 E HA -0.215 4.135 4.350 -0.000 0.000 0.202 10 E C 2.031 178.620 176.600 -0.018 0.000 1.014 10 E CA 1.123 57.516 56.400 -0.012 0.000 0.823 10 E CB -0.062 29.635 29.700 -0.006 0.000 0.736 10 E HN 0.238 nan 8.360 nan 0.000 0.478 11 L N -0.576 120.634 121.223 -0.023 0.000 2.130 11 L HA 0.035 4.375 4.340 -0.000 0.000 0.200 11 L C 2.363 179.189 176.870 -0.072 0.000 1.075 11 L CA 0.966 55.785 54.840 -0.035 0.000 0.768 11 L CB -0.242 41.803 42.059 -0.023 0.000 0.933 11 L HN 0.161 nan 8.230 nan 0.000 0.451 12 A N -0.484 122.296 122.820 -0.067 0.000 2.076 12 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 12 A C 2.082 179.612 177.584 -0.091 0.000 1.160 12 A CA 1.838 53.820 52.037 -0.092 0.000 0.653 12 A CB -0.513 18.453 19.000 -0.056 0.000 0.801 12 A HN 0.618 nan 8.150 nan 0.000 0.455 13 E N 0.020 120.185 120.200 -0.059 0.000 2.015 13 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 13 E C 2.210 178.781 176.600 -0.049 0.000 0.991 13 E CA 0.991 57.367 56.400 -0.041 0.000 0.802 13 E CB -0.317 29.369 29.700 -0.024 0.000 0.759 13 E HN 0.477 nan 8.360 nan 0.000 0.447 14 A N 0.780 123.569 122.820 -0.051 0.000 1.892 14 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 14 A C 2.453 179.986 177.584 -0.086 0.000 1.188 14 A CA 1.782 53.796 52.037 -0.038 0.000 0.631 14 A CB -0.933 18.057 19.000 -0.017 0.000 0.822 14 A HN 0.262 nan 8.150 nan 0.000 0.447 15 V N -0.304 119.474 119.914 -0.227 0.000 2.392 15 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 15 V C 2.989 178.876 176.094 -0.345 0.000 1.059 15 V CA 2.071 64.027 62.300 -0.572 0.000 1.051 15 V CB -1.193 30.149 31.823 -0.802 0.000 0.658 15 V HN 0.642 nan 8.190 nan 0.000 0.455 16 A N -0.111 122.614 122.820 -0.157 0.000 1.929 16 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 16 A C 2.290 179.952 177.584 0.129 0.000 1.176 16 A CA 1.698 53.718 52.037 -0.028 0.000 0.628 16 A CB -0.658 18.333 19.000 -0.016 0.000 0.816 16 A HN 0.538 nan 8.150 nan 0.000 0.444 17 G N -0.774 108.084 108.800 0.096 0.000 2.709 17 G HA2 0.371 4.331 3.960 -0.000 0.000 0.208 17 G HA3 0.371 4.331 3.960 -0.000 0.000 0.208 17 G C 0.867 175.811 174.900 0.072 0.000 1.129 17 G CA 0.547 45.710 45.100 0.105 0.000 0.793 17 G HN 0.745 nan 8.290 nan 0.000 0.524 18 G N 0.360 109.214 108.800 0.091 0.000 2.340 18 G HA2 0.365 4.325 3.960 -0.000 0.000 0.245 18 G HA3 0.365 4.325 3.960 -0.000 0.000 0.245 18 G C -0.146 174.871 174.900 0.196 0.000 1.294 18 G CA -0.468 44.696 45.100 0.106 0.000 0.896 18 G HN 0.364 nan 8.290 nan 0.000 0.522 19 R N 1.813 122.389 120.500 0.128 0.000 2.308 19 R HA 0.461 4.801 4.340 -0.000 0.000 0.305 19 R C -0.894 175.635 176.300 0.382 0.000 1.053 19 R CA -0.407 55.819 56.100 0.211 0.000 0.957 19 R CB 1.100 31.388 30.300 -0.020 0.000 1.022 19 R HN 0.311 nan 8.270 nan 0.000 0.461 20 V N 6.019 126.175 119.914 0.403 0.000 2.680 20 V HA 0.430 4.550 4.120 -0.000 0.000 0.309 20 V C -1.154 174.918 176.094 -0.037 0.000 1.052 20 V CA -0.982 61.451 62.300 0.223 0.000 0.908 20 V CB 1.983 33.862 31.823 0.093 0.000 1.001 20 V HN 0.659 nan 8.190 nan 0.000 0.431 21 L N 6.456 127.403 121.223 -0.460 0.000 2.329 21 L HA 0.784 5.124 4.340 -0.000 0.000 0.279 21 L C -0.922 175.711 176.870 -0.395 0.000 1.014 21 L CA 0.014 54.406 54.840 -0.746 0.000 0.814 21 L CB 1.961 43.049 42.059 -1.617 0.000 1.257 21 L HN 0.408 nan 8.230 nan 0.000 0.424 22 V N 5.638 125.386 119.914 -0.277 0.000 2.407 22 V HA 0.439 4.559 4.120 -0.000 0.000 0.291 22 V C -0.627 175.381 176.094 -0.143 0.000 1.018 22 V CA -0.658 61.534 62.300 -0.179 0.000 0.842 22 V CB 1.891 33.637 31.823 -0.129 0.000 0.996 22 V HN 0.535 nan 8.190 nan 0.000 0.426 23 V N 4.151 123.992 119.914 -0.122 0.000 2.333 23 V HA 0.887 5.007 4.120 -0.000 0.000 0.274 23 V C 0.616 176.677 176.094 -0.054 0.000 1.028 23 V CA 0.231 62.478 62.300 -0.088 0.000 0.851 23 V CB 0.634 32.421 31.823 -0.059 0.000 1.000 23 V HN 1.276 nan 8.190 nan 0.000 0.456 24 G N 4.004 112.784 108.800 -0.033 0.000 3.067 24 G HA2 0.345 4.305 3.960 -0.000 0.000 0.686 24 G HA3 0.345 4.305 3.960 -0.000 0.000 0.686 24 G C -0.294 174.609 174.900 0.005 0.000 1.119 24 G CA -0.280 44.816 45.100 -0.007 0.000 0.790 24 G HN 1.564 nan 8.290 nan 0.000 0.605 25 A N 1.566 124.413 122.820 0.045 0.000 2.985 25 A HA 0.825 5.145 4.320 -0.000 0.000 0.303 25 A C 1.195 178.848 177.584 0.114 0.000 1.048 25 A CA 1.041 53.121 52.037 0.072 0.000 1.016 25 A CB -0.094 18.994 19.000 0.146 0.000 1.118 25 A HN 2.106 nan 8.150 nan 0.000 0.529 26 G N -0.209 108.629 108.800 0.063 0.000 3.075 26 G HA2 0.446 4.406 3.960 -0.000 0.000 0.156 26 G HA3 0.446 4.406 3.960 -0.000 0.000 0.156 26 G C 1.180 176.089 174.900 0.014 0.000 1.403 26 G CA 0.362 45.507 45.100 0.075 0.000 1.033 26 G HN 0.587 nan 8.290 nan 0.000 0.589 27 G N 0.132 108.945 108.800 0.022 0.000 2.586 27 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 27 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 27 G C 1.728 176.633 174.900 0.007 0.000 1.216 27 G CA 1.288 46.396 45.100 0.014 0.000 0.786 27 G HN 0.420 nan 8.290 nan 0.000 0.583 28 I N 1.248 121.819 120.570 0.001 0.000 2.202 28 I HA -0.072 4.098 4.170 -0.000 0.000 0.242 28 I C 3.157 179.263 176.117 -0.017 0.000 1.091 28 I CA 0.931 62.227 61.300 -0.007 0.000 1.368 28 I CB -0.727 37.264 38.000 -0.015 0.000 1.058 28 I HN 0.288 nan 8.210 nan 0.000 0.410 29 G N 0.504 109.288 108.800 -0.026 0.000 2.553 29 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 29 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 29 G C 1.734 176.596 174.900 -0.063 0.000 1.195 29 G CA 1.285 46.360 45.100 -0.042 0.000 0.779 29 G HN 0.414 nan 8.290 nan 0.000 0.577 30 C N 0.324 119.558 119.300 -0.111 0.000 2.393 30 C HA -0.036 4.424 4.460 -0.000 0.000 0.276 30 C C 2.846 177.853 174.990 0.027 0.000 1.215 30 C CA 1.124 60.020 59.018 -0.203 0.000 1.743 30 C CB -0.728 26.768 27.740 -0.407 0.000 2.044 30 C HN 0.506 nan 8.230 nan 0.000 0.464 31 E N 0.302 120.587 120.200 0.141 0.000 2.153 31 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 31 E C 2.141 178.798 176.600 0.095 0.000 0.988 31 E CA 0.736 57.258 56.400 0.204 0.000 0.811 31 E CB -0.502 29.252 29.700 0.089 0.000 0.746 31 E HN 0.657 nan 8.360 nan 0.000 0.466 32 L N 0.554 121.791 121.223 0.023 0.000 1.994 32 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 32 L C 2.566 179.417 176.870 -0.031 0.000 1.071 32 L CA 0.904 55.727 54.840 -0.028 0.000 0.745 32 L CB -0.309 41.711 42.059 -0.064 0.000 0.892 32 L HN 0.157 nan 8.230 nan 0.000 0.431 33 L N -0.147 121.060 121.223 -0.026 0.000 1.990 33 L HA -0.327 4.013 4.340 -0.000 0.000 0.213 33 L C 2.804 179.702 176.870 0.047 0.000 1.072 33 L CA 1.650 56.474 54.840 -0.026 0.000 0.755 33 L CB -0.715 41.315 42.059 -0.048 0.000 0.889 33 L HN 0.330 nan 8.230 nan 0.000 0.432 34 K N 0.300 120.795 120.400 0.159 0.000 2.032 34 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 34 K C 1.765 178.457 176.600 0.153 0.000 1.048 34 K CA 1.842 58.310 56.287 0.301 0.000 0.927 34 K CB -0.208 32.572 32.500 0.466 0.000 0.712 34 K HN 0.386 nan 8.250 nan 0.000 0.441 35 N N 1.095 119.840 118.700 0.076 0.000 2.270 35 N HA -0.096 4.644 4.740 -0.000 0.000 0.181 35 N C 2.073 177.604 175.510 0.035 0.000 1.016 35 N CA 0.722 53.793 53.050 0.035 0.000 0.870 35 N CB -0.212 38.278 38.487 0.006 0.000 0.979 35 N HN 0.201 nan 8.380 nan 0.000 0.431 36 L N 0.520 121.735 121.223 -0.013 0.000 1.976 36 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 36 L C 2.304 179.240 176.870 0.110 0.000 1.071 36 L CA 0.965 55.787 54.840 -0.031 0.000 0.746 36 L CB -0.589 41.343 42.059 -0.212 0.000 0.890 36 L HN -0.056 nan 8.230 nan 0.000 0.432 37 V N 0.314 120.216 119.914 -0.019 0.000 2.287 37 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 37 V C 2.336 178.256 176.094 -0.290 0.000 1.053 37 V CA 1.835 64.000 62.300 -0.224 0.000 1.027 37 V CB -0.432 31.221 31.823 -0.283 0.000 0.646 37 V HN 0.372 nan 8.190 nan 0.000 0.447 38 L N -0.375 120.807 121.223 -0.068 0.000 2.362 38 L HA -0.104 4.236 4.340 -0.000 0.000 0.219 38 L C 2.283 179.168 176.870 0.024 0.000 1.134 38 L CA 1.384 56.220 54.840 -0.006 0.000 0.807 38 L CB -0.781 41.309 42.059 0.052 0.000 0.927 38 L HN 0.377 nan 8.230 nan 0.000 0.447 39 T N -1.158 113.435 114.554 0.064 0.000 3.067 39 T HA 0.168 4.518 4.350 -0.000 0.000 0.257 39 T C 1.420 176.141 174.700 0.036 0.000 1.105 39 T CA 0.977 63.133 62.100 0.095 0.000 1.104 39 T CB 0.552 69.541 68.868 0.202 0.000 0.925 39 T HN 0.575 nan 8.240 nan 0.000 0.498 40 G N 0.696 109.501 108.800 0.008 0.000 2.425 40 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.177 40 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.177 40 G C -0.058 174.756 174.900 -0.143 0.000 0.999 40 G CA -0.929 44.124 45.100 -0.079 0.000 0.723 40 G HN 0.385 nan 8.290 nan 0.000 0.491 41 F N 2.319 122.230 119.950 -0.064 0.000 2.538 41 F HA 0.473 5.000 4.527 -0.000 0.000 0.371 41 F C 1.582 177.325 175.800 -0.095 0.000 1.087 41 F CA 1.106 59.078 58.000 -0.046 0.000 1.250 41 F CB 1.623 40.602 39.000 -0.034 0.000 1.110 41 F HN 0.012 nan 8.300 nan 0.000 0.570 42 S N 0.606 116.317 115.700 0.018 0.000 2.539 42 S HA 0.080 4.550 4.470 -0.000 0.000 0.226 42 S C -0.006 174.396 174.600 -0.330 0.000 1.054 42 S CA -0.049 58.048 58.200 -0.171 0.000 0.910 42 S CB 0.114 63.136 63.200 -0.297 0.000 0.818 42 S HN 0.487 nan 8.310 nan 0.000 0.490 43 H N 1.138 120.287 119.070 0.133 0.000 2.661 43 H HA 0.513 5.069 4.556 0.000 0.000 0.290 43 H C -0.876 174.544 175.328 0.153 0.000 1.082 43 H CA -0.173 55.948 56.048 0.122 0.000 1.234 43 H CB 0.287 30.111 29.762 0.102 0.000 1.387 43 H HN 0.217 nan 8.280 nan 0.000 0.476 44 I N 2.831 123.505 120.570 0.173 0.000 2.533 44 I HA 0.151 4.321 4.170 -0.000 0.000 0.290 44 I C -0.467 175.732 176.117 0.136 0.000 1.056 44 I CA -0.684 60.693 61.300 0.128 0.000 1.057 44 I CB 2.357 40.379 38.000 0.037 0.000 1.240 44 I HN 0.337 nan 8.210 nan 0.000 0.423 45 D N 5.947 126.438 120.400 0.151 0.000 2.192 45 D HA 0.624 5.264 4.640 -0.000 0.000 0.246 45 D C -0.980 175.373 176.300 0.088 0.000 1.042 45 D CA -0.245 53.886 54.000 0.218 0.000 0.847 45 D CB 2.254 43.292 40.800 0.397 0.000 1.186 45 D HN 0.233 nan 8.370 nan 0.000 0.461 46 L N 3.458 124.775 121.223 0.158 0.000 2.410 46 L HA 0.616 4.956 4.340 -0.000 0.000 0.270 46 L C -1.561 175.414 176.870 0.176 0.000 0.983 46 L CA -0.748 54.141 54.840 0.082 0.000 0.822 46 L CB 1.571 43.653 42.059 0.038 0.000 1.285 46 L HN 0.446 nan 8.230 nan 0.000 0.409 47 I N 4.337 124.943 120.570 0.060 0.000 2.582 47 I HA 0.526 4.696 4.170 -0.000 0.000 0.292 47 I C -1.800 174.324 176.117 0.011 0.000 1.066 47 I CA -0.151 61.170 61.300 0.036 0.000 1.053 47 I CB 2.010 39.880 38.000 -0.216 0.000 1.241 47 I HN 0.610 nan 8.210 nan 0.000 0.421 48 D N 5.749 126.182 120.400 0.055 0.000 2.803 48 D HA 0.219 4.859 4.640 -0.000 0.000 0.218 48 D C -0.571 175.805 176.300 0.126 0.000 1.245 48 D CA -0.392 53.643 54.000 0.058 0.000 0.821 48 D CB 2.138 42.969 40.800 0.051 0.000 1.626 48 D HN 0.503 nan 8.370 nan 0.000 0.487 49 L N 0.083 121.373 121.223 0.112 0.000 2.640 49 L HA 0.532 4.872 4.340 -0.000 0.000 0.230 49 L C 0.352 177.343 176.870 0.202 0.000 1.123 49 L CA -0.052 54.889 54.840 0.169 0.000 0.900 49 L CB -0.203 41.901 42.059 0.075 0.000 1.146 49 L HN 0.082 nan 8.230 nan 0.000 0.484 50 D N 0.148 120.612 120.400 0.108 0.000 2.392 50 D HA 0.586 5.226 4.640 -0.000 0.000 0.246 50 D C -0.303 175.941 176.300 -0.094 0.000 1.013 50 D CA 0.106 54.130 54.000 0.040 0.000 0.993 50 D CB 2.191 42.993 40.800 0.002 0.000 1.219 50 D HN 0.248 nan 8.370 nan 0.000 0.538 51 T N -1.426 113.063 114.554 -0.108 0.000 2.945 51 T HA 0.605 4.955 4.350 -0.000 0.000 0.286 51 T C 0.791 175.360 174.700 -0.219 0.000 1.025 51 T CA -0.797 61.178 62.100 -0.210 0.000 1.039 51 T CB 0.650 69.437 68.868 -0.135 0.000 1.068 51 T HN 0.269 nan 8.240 nan 0.000 0.497 52 I N 1.520 121.903 120.570 -0.311 0.000 2.692 52 I HA 0.288 4.458 4.170 -0.000 0.000 0.284 52 I C 0.314 176.346 176.117 -0.142 0.000 1.159 52 I CA 0.088 61.203 61.300 -0.308 0.000 1.423 52 I CB 0.486 38.222 38.000 -0.440 0.000 1.380 52 I HN 0.796 nan 8.210 nan 0.000 0.580 53 D N 3.340 123.693 120.400 -0.078 0.000 2.527 53 D HA 0.205 4.845 4.640 -0.000 0.000 0.233 53 D C 0.471 176.770 176.300 -0.002 0.000 1.063 53 D CA -0.665 53.311 54.000 -0.040 0.000 0.880 53 D CB 2.255 43.031 40.800 -0.041 0.000 1.457 53 D HN 0.228 nan 8.370 nan 0.000 0.475 54 V N 2.532 122.445 119.914 -0.001 0.000 2.469 54 V HA -0.194 3.926 4.120 -0.000 0.000 0.251 54 V C 1.762 177.875 176.094 0.030 0.000 1.064 54 V CA 2.908 65.218 62.300 0.017 0.000 1.066 54 V CB -0.587 31.241 31.823 0.009 0.000 0.667 54 V HN 0.722 nan 8.190 nan 0.000 0.461 55 S N -0.847 114.865 115.700 0.020 0.000 2.515 55 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 55 S C 1.513 176.139 174.600 0.044 0.000 0.987 55 S CA 1.479 59.694 58.200 0.026 0.000 0.936 55 S CB -1.040 62.165 63.200 0.007 0.000 0.766 55 S HN 0.818 nan 8.310 nan 0.000 0.528 56 N N 1.471 120.209 118.700 0.063 0.000 2.396 56 N HA 0.158 4.898 4.740 -0.000 0.000 0.180 56 N C 1.321 176.907 175.510 0.128 0.000 1.028 56 N CA 0.838 53.954 53.050 0.110 0.000 0.893 56 N CB -0.358 38.232 38.487 0.173 0.000 0.967 56 N HN 0.373 nan 8.380 nan 0.000 0.440 57 L N 1.570 122.860 121.223 0.113 0.000 2.450 57 L HA -0.124 4.216 4.340 -0.000 0.000 0.224 57 L C 1.756 178.677 176.870 0.085 0.000 1.149 57 L CA 0.590 55.497 54.840 0.111 0.000 0.816 57 L CB -0.615 41.499 42.059 0.092 0.000 0.932 57 L HN 0.422 nan 8.230 nan 0.000 0.449 58 N N 1.192 119.932 118.700 0.067 0.000 2.398 58 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 58 N C 1.324 176.863 175.510 0.049 0.000 1.122 58 N CA 0.369 53.449 53.050 0.051 0.000 0.866 58 N CB 0.219 38.728 38.487 0.037 0.000 0.970 58 N HN 0.543 nan 8.380 nan 0.000 0.462 59 R N -1.480 119.056 120.500 0.061 0.000 2.471 59 R HA 0.184 4.523 4.340 -0.000 0.000 0.326 59 R C -0.500 175.840 176.300 0.068 0.000 0.875 59 R CA -0.281 55.853 56.100 0.057 0.000 1.102 59 R CB -0.296 30.023 30.300 0.032 0.000 1.749 59 R HN -0.008 nan 8.270 nan 0.000 0.487 60 Q N 1.711 121.540 119.800 0.047 0.000 2.788 60 Q HA 0.196 4.536 4.340 -0.000 0.000 0.278 60 Q C -0.077 175.798 176.000 -0.208 0.000 1.126 60 Q CA -0.588 55.148 55.803 -0.110 0.000 1.017 60 Q CB 0.616 29.327 28.738 -0.046 0.000 1.219 60 Q HN 0.391 nan 8.270 nan 0.000 0.503 61 F N -0.706 119.135 119.950 -0.182 0.000 2.481 61 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 61 F C 0.526 176.249 175.800 -0.129 0.000 1.095 61 F CA 0.997 58.927 58.000 -0.118 0.000 1.465 61 F CB -0.037 38.912 39.000 -0.085 0.000 1.098 61 F HN 0.293 nan 8.300 nan 0.000 0.585 62 L N -0.522 120.087 121.223 -1.022 0.000 2.591 62 L HA 0.199 4.539 4.340 -0.000 0.000 0.228 62 L C -0.199 176.518 176.870 -0.255 0.000 1.133 62 L CA -0.050 54.311 54.840 -0.798 0.000 0.880 62 L CB -0.418 41.071 42.059 -0.949 0.000 1.033 62 L HN 0.077 nan 8.230 nan 0.000 0.450 63 F N -0.784 119.130 119.950 -0.060 0.000 2.495 63 F HA 0.523 5.050 4.527 -0.000 0.000 0.327 63 F C 0.101 176.015 175.800 0.192 0.000 1.103 63 F CA -1.177 56.882 58.000 0.098 0.000 0.949 63 F CB 1.675 40.690 39.000 0.024 0.000 1.142 63 F HN -0.157 nan 8.300 nan 0.000 0.457 64 Q N 1.156 121.271 119.800 0.525 0.000 2.496 64 Q HA 0.341 4.681 4.340 -0.000 0.000 0.286 64 Q C 0.740 176.754 176.000 0.022 0.000 1.103 64 Q CA -0.926 54.963 55.803 0.142 0.000 0.813 64 Q CB 1.486 30.202 28.738 -0.036 0.000 1.444 64 Q HN 0.306 nan 8.270 nan 0.000 0.443 65 K N 0.955 121.345 120.400 -0.017 0.000 2.127 65 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 65 K C 1.178 177.732 176.600 -0.077 0.000 1.047 65 K CA 1.844 58.114 56.287 -0.029 0.000 0.927 65 K CB 0.004 32.489 32.500 -0.024 0.000 0.716 65 K HN 0.639 nan 8.250 nan 0.000 0.450 66 K N -1.227 119.065 120.400 -0.180 0.000 2.439 66 K HA -0.084 4.236 4.320 -0.000 0.000 0.197 66 K C 1.320 177.825 176.600 -0.157 0.000 1.041 66 K CA 1.291 57.464 56.287 -0.190 0.000 0.970 66 K CB -0.282 32.074 32.500 -0.240 0.000 0.773 66 K HN 0.336 nan 8.250 nan 0.000 0.479 67 H N 0.339 119.399 119.070 -0.017 0.000 2.551 67 H HA 0.148 4.704 4.556 -0.000 0.000 0.266 67 H C -0.120 175.146 175.328 -0.104 0.000 0.964 67 H CA -0.552 55.461 56.048 -0.058 0.000 1.180 67 H CB 0.478 30.211 29.762 -0.049 0.000 1.408 67 H HN -0.115 nan 8.280 nan 0.000 0.563 68 V N 1.403 121.327 119.914 0.016 0.000 2.681 68 V HA -0.085 4.035 4.120 -0.000 0.000 0.306 68 V C 1.510 177.576 176.094 -0.047 0.000 1.077 68 V CA 1.756 64.037 62.300 -0.031 0.000 1.224 68 V CB 0.188 31.998 31.823 -0.022 0.000 0.879 68 V HN 0.876 nan 8.190 nan 0.000 0.494 69 G N 4.275 113.029 108.800 -0.077 0.000 2.241 69 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 69 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 69 G C 0.387 175.228 174.900 -0.098 0.000 0.998 69 G CA 0.211 45.268 45.100 -0.072 0.000 0.621 69 G HN 0.626 nan 8.290 nan 0.000 0.519 70 R N 0.567 120.990 120.500 -0.129 0.000 2.546 70 R HA 0.588 4.928 4.340 -0.000 0.000 0.266 70 R C 0.689 176.806 176.300 -0.304 0.000 1.086 70 R CA 0.233 56.231 56.100 -0.170 0.000 1.160 70 R CB 0.776 30.998 30.300 -0.130 0.000 1.138 70 R HN 0.288 nan 8.270 nan 0.000 0.567 71 S N 0.515 115.997 115.700 -0.364 0.000 2.516 71 S HA 0.014 4.484 4.470 -0.000 0.000 0.282 71 S C 0.938 175.262 174.600 -0.460 0.000 1.286 71 S CA -0.199 57.674 58.200 -0.546 0.000 1.066 71 S CB 0.564 63.404 63.200 -0.601 0.000 0.884 71 S HN 0.487 nan 8.310 nan 0.000 0.491 72 K N 3.916 124.034 120.400 -0.470 0.000 2.032 72 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 72 K C 2.371 178.909 176.600 -0.104 0.000 1.048 72 K CA 1.543 57.546 56.287 -0.474 0.000 0.927 72 K CB -0.483 31.884 32.500 -0.222 0.000 0.712 72 K HN 0.777 nan 8.250 nan 0.000 0.441 73 A N 1.220 123.994 122.820 -0.078 0.000 1.902 73 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 73 A C 2.173 179.740 177.584 -0.030 0.000 1.181 73 A CA 1.637 53.675 52.037 0.001 0.000 0.623 73 A CB -0.486 18.536 19.000 0.037 0.000 0.818 73 A HN 0.230 nan 8.150 nan 0.000 0.443 74 Q N -0.268 119.476 119.800 -0.094 0.000 1.993 74 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 74 Q C 1.993 177.934 176.000 -0.099 0.000 0.984 74 Q CA 2.221 57.968 55.803 -0.094 0.000 0.837 74 Q CB -0.608 28.060 28.738 -0.116 0.000 0.902 74 Q HN 0.329 nan 8.270 nan 0.000 0.423 75 V N 0.818 120.640 119.914 -0.152 0.000 2.469 75 V HA -0.286 3.834 4.120 -0.000 0.000 0.251 75 V C 2.198 178.273 176.094 -0.031 0.000 1.064 75 V CA 1.709 63.896 62.300 -0.188 0.000 1.066 75 V CB -1.268 30.321 31.823 -0.389 0.000 0.667 75 V HN 0.498 nan 8.190 nan 0.000 0.461 76 A N -0.064 122.839 122.820 0.137 0.000 1.902 76 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 76 A C 2.367 179.919 177.584 -0.053 0.000 1.181 76 A CA 2.139 54.220 52.037 0.073 0.000 0.623 76 A CB -0.471 18.593 19.000 0.106 0.000 0.818 76 A HN 0.531 nan 8.150 nan 0.000 0.443 77 K N -0.166 120.206 120.400 -0.047 0.000 2.026 77 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 77 K C 1.904 178.451 176.600 -0.087 0.000 1.048 77 K CA 1.755 58.000 56.287 -0.070 0.000 0.929 77 K CB -0.211 32.254 32.500 -0.059 0.000 0.713 77 K HN 0.609 nan 8.250 nan 0.000 0.439 78 E N 0.065 120.217 120.200 -0.080 0.000 2.051 78 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 78 E C 2.104 178.661 176.600 -0.073 0.000 0.991 78 E CA 1.610 57.966 56.400 -0.073 0.000 0.799 78 E CB 0.033 29.689 29.700 -0.073 0.000 0.748 78 E HN 0.250 nan 8.360 nan 0.000 0.449 79 S N 0.232 115.885 115.700 -0.079 0.000 2.368 79 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 79 S C 2.174 176.721 174.600 -0.087 0.000 1.030 79 S CA 0.864 59.042 58.200 -0.037 0.000 0.999 79 S CB -0.131 63.038 63.200 -0.052 0.000 0.844 79 S HN 0.058 nan 8.310 nan 0.000 0.459 80 V N 2.256 122.047 119.914 -0.204 0.000 2.343 80 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 80 V C 2.097 177.823 176.094 -0.614 0.000 1.051 80 V CA 1.462 63.454 62.300 -0.513 0.000 1.036 80 V CB -0.752 30.876 31.823 -0.325 0.000 0.654 80 V HN 0.441 nan 8.190 nan 0.000 0.451 81 L N -0.384 120.670 121.223 -0.282 0.000 2.349 81 L HA -0.232 4.108 4.340 -0.000 0.000 0.220 81 L C 2.581 179.362 176.870 -0.149 0.000 1.130 81 L CA 1.285 56.016 54.840 -0.181 0.000 0.791 81 L CB -0.591 41.410 42.059 -0.097 0.000 0.918 81 L HN 0.439 nan 8.230 nan 0.000 0.444 82 Q N -0.270 119.455 119.800 -0.126 0.000 2.224 82 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 82 Q C 1.382 177.444 176.000 0.102 0.000 0.970 82 Q CA 1.333 57.144 55.803 0.013 0.000 0.865 82 Q CB 0.093 28.891 28.738 0.099 0.000 0.922 82 Q HN 0.707 nan 8.270 nan 0.000 0.445 83 F N -4.457 115.553 119.950 0.100 0.000 2.683 83 F HA 0.344 4.871 4.527 -0.000 0.000 0.306 83 F C -0.257 175.666 175.800 0.205 0.000 1.102 83 F CA -0.842 57.232 58.000 0.122 0.000 1.244 83 F CB 0.258 39.334 39.000 0.127 0.000 1.029 83 F HN -0.161 nan 8.300 nan 0.000 0.545 84 Y N 1.166 121.334 120.300 -0.221 0.000 2.782 84 Y HA 0.326 4.877 4.550 0.001 0.000 0.264 84 Y C -2.419 173.385 175.900 -0.161 0.000 1.020 84 Y CA -1.960 56.049 58.100 -0.152 0.000 1.223 84 Y CB 0.572 38.909 38.460 -0.206 0.000 1.137 84 Y HN -0.142 nan 8.280 nan 0.000 0.560 85 P HA -0.178 nan 4.420 nan 0.000 0.220 85 P C 1.013 178.259 177.300 -0.090 0.000 1.144 85 P CA 1.673 64.718 63.100 -0.093 0.000 0.800 85 P CB 0.329 31.977 31.700 -0.086 0.000 0.772 86 K N -0.342 119.961 120.400 -0.161 0.000 2.103 86 K HA 0.081 4.401 4.320 -0.000 0.000 0.204 86 K C 1.063 177.672 176.600 0.015 0.000 1.052 86 K CA 0.374 56.595 56.287 -0.110 0.000 0.945 86 K CB -0.628 31.732 32.500 -0.233 0.000 0.722 86 K HN 0.066 nan 8.250 nan 0.000 0.443 87 A N 2.701 125.620 122.820 0.166 0.000 2.616 87 A HA -0.191 4.129 4.320 -0.000 0.000 0.242 87 A C 0.034 177.618 177.584 -0.000 0.000 0.987 87 A CA 0.582 52.685 52.037 0.110 0.000 0.800 87 A CB -0.449 18.596 19.000 0.076 0.000 0.883 87 A HN 0.528 nan 8.150 nan 0.000 0.496 88 N N 2.758 121.427 118.700 -0.052 0.000 3.234 88 N HA 0.387 5.127 4.740 -0.000 0.000 0.272 88 N C -0.782 174.738 175.510 0.016 0.000 1.254 88 N CA -0.410 52.625 53.050 -0.026 0.000 1.087 88 N CB -0.085 38.368 38.487 -0.056 0.000 1.356 88 N HN 0.611 nan 8.380 nan 0.000 0.511 89 I N 1.979 122.550 120.570 0.003 0.000 2.353 89 I HA 0.262 4.431 4.170 -0.000 0.000 0.293 89 I C -0.210 175.902 176.117 -0.009 0.000 0.992 89 I CA -0.976 60.327 61.300 0.005 0.000 1.268 89 I CB 1.896 39.880 38.000 -0.026 0.000 1.387 89 I HN 0.008 nan 8.210 nan 0.000 0.478 90 V N 5.751 125.664 119.914 -0.003 0.000 2.378 90 V HA 0.587 4.707 4.120 -0.000 0.000 0.288 90 V C 0.269 176.246 176.094 -0.195 0.000 1.016 90 V CA -0.524 61.711 62.300 -0.108 0.000 0.840 90 V CB 1.322 33.103 31.823 -0.070 0.000 0.994 90 V HN 0.844 nan 8.190 nan 0.000 0.431 91 A N 4.939 127.616 122.820 -0.239 0.000 2.312 91 A HA 0.885 5.205 4.320 -0.000 0.000 0.326 91 A C -1.340 176.087 177.584 -0.261 0.000 1.172 91 A CA -0.380 51.564 52.037 -0.155 0.000 0.821 91 A CB 0.698 19.660 19.000 -0.064 0.000 1.166 91 A HN 0.742 nan 8.150 nan 0.000 0.493 92 Y N 0.459 120.792 120.300 0.056 0.000 2.338 92 Y HA 0.311 4.861 4.550 0.000 0.000 0.333 92 Y C 0.181 176.145 175.900 0.107 0.000 0.968 92 Y CA -0.409 57.740 58.100 0.082 0.000 1.123 92 Y CB 1.597 40.086 38.460 0.049 0.000 1.165 92 Y HN 0.818 nan 8.280 nan 0.000 0.452 93 H N 3.768 122.924 119.070 0.143 0.000 2.821 93 H HA 0.376 4.932 4.556 0.000 0.000 0.262 93 H C -1.299 174.085 175.328 0.094 0.000 1.402 93 H CA -0.112 55.980 56.048 0.074 0.000 1.293 93 H CB 0.161 29.941 29.762 0.030 0.000 1.533 93 H HN 0.857 nan 8.280 nan 0.000 0.528 94 D N 1.436 121.938 120.400 0.171 0.000 2.725 94 D HA 0.081 4.721 4.640 -0.000 0.000 0.292 94 D C -1.210 175.121 176.300 0.052 0.000 1.288 94 D CA -0.488 53.557 54.000 0.076 0.000 0.784 94 D CB 2.079 42.990 40.800 0.184 0.000 1.308 94 D HN 0.366 nan 8.370 nan 0.000 0.429 95 S N 0.626 116.359 115.700 0.055 0.000 2.525 95 S HA 0.279 4.749 4.470 -0.000 0.000 0.278 95 S C 1.089 175.707 174.600 0.030 0.000 1.234 95 S CA -0.519 57.700 58.200 0.032 0.000 1.058 95 S CB 0.654 63.873 63.200 0.031 0.000 0.983 95 S HN 0.441 nan 8.310 nan 0.000 0.495 96 I N 5.427 125.982 120.570 -0.026 0.000 2.916 96 I HA -0.038 4.132 4.170 -0.000 0.000 0.267 96 I C 1.696 177.935 176.117 0.203 0.000 1.263 96 I CA 1.409 62.700 61.300 -0.016 0.000 1.471 96 I CB -0.234 37.796 38.000 0.049 0.000 1.089 96 I HN 0.740 nan 8.210 nan 0.000 0.468 97 M N -0.447 119.196 119.600 0.072 0.000 2.562 97 M HA -0.004 4.476 4.480 -0.000 0.000 0.257 97 M C 0.842 177.135 176.300 -0.012 0.000 1.099 97 M CA 0.211 55.429 55.300 -0.136 0.000 1.099 97 M CB -1.205 31.275 32.600 -0.200 0.000 1.427 97 M HN 0.244 nan 8.290 nan 0.000 0.489 98 N N 3.854 122.630 118.700 0.126 0.000 2.411 98 N HA -0.019 4.721 4.740 -0.000 0.000 0.261 98 N C -1.717 173.811 175.510 0.030 0.000 1.248 98 N CA -0.688 52.406 53.050 0.073 0.000 0.885 98 N CB 1.245 39.791 38.487 0.099 0.000 1.062 98 N HN 0.024 nan 8.380 nan 0.000 0.471 99 P HA -0.134 nan 4.420 nan 0.000 0.222 99 P C 0.321 177.556 177.300 -0.108 0.000 1.142 99 P CA 0.975 64.070 63.100 -0.009 0.000 0.788 99 P CB 0.383 32.080 31.700 -0.005 0.000 0.767 100 D N -0.738 119.468 120.400 -0.323 0.000 2.219 100 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 100 D C 0.453 176.359 176.300 -0.657 0.000 0.970 100 D CA 0.953 54.637 54.000 -0.527 0.000 0.851 100 D CB -0.535 39.810 40.800 -0.759 0.000 0.943 100 D HN 0.386 nan 8.370 nan 0.000 0.488 101 Y N 1.821 121.994 120.300 -0.212 0.000 2.821 101 Y HA 0.147 4.696 4.550 -0.000 0.000 0.331 101 Y C 0.734 176.784 175.900 0.250 0.000 1.251 101 Y CA -1.292 56.629 58.100 -0.299 0.000 1.494 101 Y CB -0.573 37.581 38.460 -0.511 0.000 1.493 101 Y HN -0.101 nan 8.280 nan 0.000 0.496 102 N N -1.500 117.392 118.700 0.320 0.000 2.418 102 N HA 0.089 4.829 4.740 -0.000 0.000 0.283 102 N C 0.900 176.680 175.510 0.451 0.000 1.267 102 N CA -0.654 52.592 53.050 0.327 0.000 0.975 102 N CB 0.109 38.710 38.487 0.189 0.000 1.167 102 N HN 0.120 nan 8.380 nan 0.000 0.581 103 V N -0.508 119.576 119.914 0.283 0.000 2.392 103 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 103 V C 2.402 178.656 176.094 0.267 0.000 1.059 103 V CA 2.196 64.644 62.300 0.247 0.000 1.051 103 V CB -1.062 30.838 31.823 0.128 0.000 0.658 103 V HN 0.806 nan 8.190 nan 0.000 0.455 104 E N -0.421 119.913 120.200 0.223 0.000 2.077 104 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 104 E C 2.070 178.786 176.600 0.193 0.000 0.989 104 E CA 1.486 57.985 56.400 0.164 0.000 0.800 104 E CB -0.194 29.581 29.700 0.126 0.000 0.746 104 E HN 0.574 nan 8.360 nan 0.000 0.452 105 F N 0.344 120.385 119.950 0.151 0.000 2.069 105 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 105 F C 1.733 177.636 175.800 0.171 0.000 1.113 105 F CA 1.630 59.712 58.000 0.135 0.000 1.214 105 F CB -0.551 38.560 39.000 0.186 0.000 0.978 105 F HN 0.020 nan 8.300 nan 0.000 0.474 106 F N 0.590 120.671 119.950 0.219 0.000 2.171 106 F HA -0.107 4.420 4.527 0.000 0.000 0.300 106 F C 2.653 178.517 175.800 0.108 0.000 1.090 106 F CA 1.739 59.846 58.000 0.179 0.000 1.293 106 F CB -0.718 38.388 39.000 0.178 0.000 1.013 106 F HN -0.125 nan 8.300 nan 0.000 0.486 107 R N 0.500 121.123 120.500 0.205 0.000 2.341 107 R HA -0.160 4.180 4.340 -0.000 0.000 0.213 107 R C 1.756 178.016 176.300 -0.066 0.000 1.082 107 R CA 0.823 56.973 56.100 0.083 0.000 1.017 107 R CB -0.190 30.149 30.300 0.066 0.000 0.860 107 R HN 0.433 nan 8.270 nan 0.000 0.473 108 Q N -0.898 118.737 119.800 -0.276 0.000 2.369 108 Q HA -0.046 4.294 4.340 -0.000 0.000 0.206 108 Q C -0.372 175.238 176.000 -0.650 0.000 0.963 108 Q CA 0.611 56.083 55.803 -0.552 0.000 0.894 108 Q CB 0.189 28.375 28.738 -0.920 0.000 0.965 108 Q HN 0.159 nan 8.270 nan 0.000 0.475 109 F N -0.343 119.526 119.950 -0.135 0.000 2.432 109 F HA 0.229 4.756 4.527 -0.000 0.000 0.329 109 F C 1.273 177.057 175.800 -0.028 0.000 1.076 109 F CA -1.003 56.942 58.000 -0.092 0.000 1.018 109 F CB 0.742 39.661 39.000 -0.136 0.000 1.201 109 F HN -0.139 nan 8.300 nan 0.000 0.489 110 I N -0.572 120.113 120.570 0.191 0.000 3.783 110 I HA 0.376 4.546 4.170 -0.000 0.000 0.310 110 I C -0.584 175.610 176.117 0.129 0.000 1.274 110 I CA 0.397 61.774 61.300 0.128 0.000 1.294 110 I CB 0.696 38.763 38.000 0.112 0.000 1.051 110 I HN 0.372 nan 8.210 nan 0.000 0.435 111 L N 1.208 122.517 121.223 0.143 0.000 2.565 111 L HA 0.606 4.946 4.340 -0.000 0.000 0.261 111 L C -1.412 175.456 176.870 -0.004 0.000 0.932 111 L CA -0.415 54.465 54.840 0.067 0.000 0.878 111 L CB 2.187 44.279 42.059 0.054 0.000 1.333 111 L HN -0.144 nan 8.230 nan 0.000 0.409 112 V N 5.201 125.097 119.914 -0.029 0.000 2.628 112 V HA 0.656 4.776 4.120 -0.000 0.000 0.306 112 V C -0.324 175.714 176.094 -0.093 0.000 1.045 112 V CA -0.421 61.820 62.300 -0.099 0.000 0.905 112 V CB 1.960 33.784 31.823 0.002 0.000 0.997 112 V HN 0.803 nan 8.190 nan 0.000 0.436 113 M N 3.946 123.469 119.600 -0.129 0.000 2.204 113 M HA 0.470 4.950 4.480 -0.000 0.000 0.293 113 M C -0.832 175.406 176.300 -0.104 0.000 0.994 113 M CA -0.440 54.792 55.300 -0.113 0.000 0.925 113 M CB 1.855 34.373 32.600 -0.136 0.000 1.577 113 M HN 0.496 nan 8.290 nan 0.000 0.439 114 N N 1.882 120.526 118.700 -0.093 0.000 2.518 114 N HA 0.662 5.402 4.740 -0.000 0.000 0.283 114 N C -0.644 174.817 175.510 -0.081 0.000 1.119 114 N CA -0.053 52.941 53.050 -0.093 0.000 0.983 114 N CB 1.729 40.138 38.487 -0.130 0.000 1.139 114 N HN 0.807 nan 8.380 nan 0.000 0.465 115 A N 2.830 125.611 122.820 -0.065 0.000 3.292 115 A HA 0.343 4.663 4.320 -0.000 0.000 0.231 115 A C -0.369 177.197 177.584 -0.030 0.000 0.952 115 A CA -0.386 51.624 52.037 -0.045 0.000 1.044 115 A CB -0.296 18.679 19.000 -0.041 0.000 1.236 115 A HN 0.504 nan 8.150 nan 0.000 0.525 116 L N -0.318 120.883 121.223 -0.038 0.000 2.397 116 L HA 0.566 4.906 4.340 -0.000 0.000 0.266 116 L C 0.628 177.496 176.870 -0.003 0.000 1.040 116 L CA -0.769 54.059 54.840 -0.020 0.000 0.800 116 L CB 1.152 43.192 42.059 -0.031 0.000 1.324 116 L HN 0.480 nan 8.230 nan 0.000 0.469 117 D N -1.133 119.275 120.400 0.014 0.000 2.563 117 D HA 0.122 4.762 4.640 -0.000 0.000 0.237 117 D C -0.634 175.693 176.300 0.045 0.000 1.282 117 D CA -0.277 53.741 54.000 0.030 0.000 0.816 117 D CB -0.311 40.508 40.800 0.031 0.000 1.066 117 D HN 0.647 nan 8.370 nan 0.000 0.501 118 N N -1.515 117.213 118.700 0.046 0.000 2.371 118 N HA 0.191 4.931 4.740 -0.000 0.000 0.280 118 N C 0.501 176.061 175.510 0.082 0.000 1.084 118 N CA -1.019 52.071 53.050 0.067 0.000 0.892 118 N CB 2.392 40.917 38.487 0.064 0.000 1.653 118 N HN -0.163 nan 8.380 nan 0.000 0.480 119 R N 1.766 122.339 120.500 0.122 0.000 2.112 119 R HA -0.255 4.085 4.340 -0.000 0.000 0.242 119 R C 1.676 178.069 176.300 0.156 0.000 1.137 119 R CA 2.400 58.607 56.100 0.179 0.000 0.944 119 R CB -0.747 29.654 30.300 0.169 0.000 0.857 119 R HN 0.769 nan 8.270 nan 0.000 0.435 120 A N 0.656 123.547 122.820 0.118 0.000 1.884 120 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 120 A C 2.427 180.073 177.584 0.103 0.000 1.197 120 A CA 2.284 54.385 52.037 0.107 0.000 0.637 120 A CB -1.047 18.001 19.000 0.079 0.000 0.827 120 A HN 0.634 nan 8.150 nan 0.000 0.450 121 A N -0.750 122.115 122.820 0.076 0.000 1.929 121 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 121 A C 2.215 179.830 177.584 0.052 0.000 1.176 121 A CA 1.393 53.476 52.037 0.077 0.000 0.628 121 A CB -0.389 18.639 19.000 0.047 0.000 0.816 121 A HN 0.568 nan 8.150 nan 0.000 0.444 122 R N -0.175 120.315 120.500 -0.018 0.000 2.092 122 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 122 R C 1.922 178.136 176.300 -0.144 0.000 1.119 122 R CA 1.605 57.586 56.100 -0.199 0.000 0.970 122 R CB -0.416 29.631 30.300 -0.422 0.000 0.864 122 R HN 0.682 nan 8.270 nan 0.000 0.440 123 N N -0.442 118.304 118.700 0.077 0.000 2.142 123 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 123 N C 1.737 177.264 175.510 0.028 0.000 1.023 123 N CA 1.015 54.148 53.050 0.138 0.000 0.852 123 N CB -0.142 38.455 38.487 0.184 0.000 0.998 123 N HN 0.242 nan 8.380 nan 0.000 0.424 124 H N 0.909 119.959 119.070 -0.033 0.000 2.290 124 H HA -0.048 4.508 4.556 -0.000 0.000 0.298 124 H C 1.886 177.129 175.328 -0.142 0.000 1.087 124 H CA 1.504 57.513 56.048 -0.064 0.000 1.291 124 H CB -0.434 29.319 29.762 -0.014 0.000 1.369 124 H HN -0.060 nan 8.280 nan 0.000 0.492 125 V N 0.919 120.740 119.914 -0.155 0.000 2.332 125 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 125 V C 2.365 178.264 176.094 -0.325 0.000 1.055 125 V CA 2.102 64.240 62.300 -0.270 0.000 1.038 125 V CB -0.859 30.915 31.823 -0.082 0.000 0.651 125 V HN 0.576 nan 8.190 nan 0.000 0.450 126 N N 0.463 119.029 118.700 -0.224 0.000 2.061 126 N HA -0.223 4.517 4.740 -0.000 0.000 0.193 126 N C 1.944 177.311 175.510 -0.240 0.000 1.030 126 N CA 1.851 54.795 53.050 -0.176 0.000 0.856 126 N CB -0.182 38.274 38.487 -0.053 0.000 1.023 126 N HN 0.445 nan 8.380 nan 0.000 0.424 127 R N -0.892 119.426 120.500 -0.303 0.000 2.092 127 R HA 0.007 4.347 4.340 -0.000 0.000 0.231 127 R C 2.072 178.147 176.300 -0.376 0.000 1.119 127 R CA 1.267 57.164 56.100 -0.338 0.000 0.970 127 R CB -0.195 29.890 30.300 -0.358 0.000 0.864 127 R HN 0.319 nan 8.270 nan 0.000 0.440 128 M N 0.178 119.429 119.600 -0.582 0.000 2.117 128 M HA -0.170 4.310 4.480 -0.000 0.000 0.262 128 M C 2.372 178.344 176.300 -0.546 0.000 1.065 128 M CA 1.361 56.220 55.300 -0.735 0.000 1.114 128 M CB -1.056 30.626 32.600 -1.530 0.000 1.361 128 M HN 0.231 nan 8.290 nan 0.000 0.408 129 C N 0.021 119.045 119.300 -0.460 0.000 2.450 129 C HA -0.052 4.408 4.460 -0.000 0.000 0.279 129 C C 2.938 177.858 174.990 -0.115 0.000 1.335 129 C CA 0.318 59.223 59.018 -0.189 0.000 1.749 129 C CB -1.137 26.538 27.740 -0.108 0.000 1.963 129 C HN 0.492 nan 8.230 nan 0.000 0.501 130 L N 0.977 122.111 121.223 -0.149 0.000 2.056 130 L HA -0.130 4.209 4.340 -0.000 0.000 0.207 130 L C 2.893 179.715 176.870 -0.080 0.000 1.078 130 L CA 1.635 56.412 54.840 -0.105 0.000 0.749 130 L CB -0.742 41.237 42.059 -0.133 0.000 0.901 130 L HN 0.316 nan 8.230 nan 0.000 0.433 131 A N -0.076 122.683 122.820 -0.102 0.000 1.902 131 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 131 A C 2.359 179.935 177.584 -0.013 0.000 1.181 131 A CA 1.707 53.712 52.037 -0.054 0.000 0.623 131 A CB -0.623 18.340 19.000 -0.062 0.000 0.818 131 A HN 0.400 nan 8.150 nan 0.000 0.443 132 A N -1.510 121.307 122.820 -0.005 0.000 2.208 132 A HA 0.261 4.580 4.320 -0.000 0.000 0.209 132 A C 0.825 178.434 177.584 0.043 0.000 1.161 132 A CA 1.148 53.218 52.037 0.055 0.000 0.782 132 A CB -0.343 18.741 19.000 0.139 0.000 0.816 132 A HN 0.610 nan 8.150 nan 0.000 0.477 133 D N -1.472 118.937 120.400 0.015 0.000 2.699 133 D HA -0.138 4.502 4.640 -0.000 0.000 0.239 133 D C -0.438 175.881 176.300 0.032 0.000 1.136 133 D CA 0.998 55.006 54.000 0.013 0.000 0.668 133 D CB -1.580 39.228 40.800 0.013 0.000 1.060 133 D HN 0.497 nan 8.370 nan 0.000 0.429 134 V N 0.786 120.728 119.914 0.046 0.000 2.555 134 V HA 0.702 4.822 4.120 -0.000 0.000 0.302 134 V C -2.141 173.981 176.094 0.046 0.000 1.038 134 V CA -1.920 60.421 62.300 0.069 0.000 0.887 134 V CB 1.886 33.789 31.823 0.134 0.000 0.991 134 V HN 0.050 nan 8.190 nan 0.000 0.434 135 P HA 0.194 nan 4.420 nan 0.000 0.265 135 P C -1.293 176.016 177.300 0.016 0.000 1.193 135 P CA 0.117 63.232 63.100 0.024 0.000 0.765 135 P CB 0.414 32.132 31.700 0.030 0.000 0.823 136 L N 4.834 126.056 121.223 -0.002 0.000 2.381 136 L HA 0.511 4.851 4.340 -0.000 0.000 0.274 136 L C -1.214 175.638 176.870 -0.029 0.000 0.988 136 L CA -0.354 54.474 54.840 -0.019 0.000 0.824 136 L CB 1.123 43.163 42.059 -0.032 0.000 1.263 136 L HN 0.224 nan 8.230 nan 0.000 0.410 137 I N 4.742 125.286 120.570 -0.043 0.000 2.312 137 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 137 I C -0.081 175.999 176.117 -0.063 0.000 1.008 137 I CA -0.486 60.786 61.300 -0.047 0.000 1.226 137 I CB 1.217 39.184 38.000 -0.054 0.000 1.371 137 I HN 0.545 nan 8.210 nan 0.000 0.468 138 E N 4.779 124.947 120.200 -0.054 0.000 2.175 138 E HA 0.561 4.911 4.350 -0.000 0.000 0.278 138 E C -1.143 175.429 176.600 -0.047 0.000 0.969 138 E CA -0.158 56.200 56.400 -0.070 0.000 0.796 138 E CB 2.055 31.729 29.700 -0.044 0.000 1.104 138 E HN 0.529 nan 8.360 nan 0.000 0.395 139 S N 0.435 116.103 115.700 -0.052 0.000 2.579 139 S HA 0.884 5.354 4.470 -0.000 0.000 0.272 139 S C -0.499 174.093 174.600 -0.013 0.000 1.141 139 S CA -0.773 57.407 58.200 -0.034 0.000 0.843 139 S CB 2.146 65.320 63.200 -0.042 0.000 1.122 139 S HN 0.556 nan 8.310 nan 0.000 0.468 140 G N 0.637 109.441 108.800 0.007 0.000 2.698 140 G HA2 0.719 4.679 3.960 -0.000 0.000 0.293 140 G HA3 0.719 4.679 3.960 -0.000 0.000 0.293 140 G C -1.162 173.757 174.900 0.032 0.000 1.437 140 G CA -0.489 44.628 45.100 0.027 0.000 0.852 140 G HN 0.892 nan 8.290 nan 0.000 0.499 141 T N -2.466 112.108 114.554 0.034 0.000 2.900 141 T HA 0.869 5.219 4.350 -0.000 0.000 0.303 141 T C -0.672 174.049 174.700 0.035 0.000 1.142 141 T CA -0.335 61.786 62.100 0.035 0.000 1.007 141 T CB 2.087 70.967 68.868 0.020 0.000 1.156 141 T HN 2.163 nan 8.240 nan 0.000 0.490 142 A N 0.947 123.789 122.820 0.037 0.000 2.550 142 A HA 0.806 5.126 4.320 -0.000 0.000 0.282 142 A C 0.822 178.415 177.584 0.014 0.000 1.071 142 A CA 0.206 52.260 52.037 0.028 0.000 0.838 142 A CB 0.456 19.485 19.000 0.048 0.000 1.361 142 A HN 2.410 nan 8.150 nan 0.000 0.408 143 G N 1.568 110.340 108.800 -0.046 0.000 2.602 143 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.310 143 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.310 143 G C 0.640 175.429 174.900 -0.184 0.000 1.183 143 G CA 1.428 46.437 45.100 -0.151 0.000 0.979 143 G HN 1.288 nan 8.290 nan 0.000 0.545 144 Y N 1.197 121.517 120.300 0.034 0.000 2.457 144 Y HA 0.539 5.088 4.550 -0.000 0.000 0.263 144 Y C 1.531 177.455 175.900 0.039 0.000 1.164 144 Y CA -0.161 57.959 58.100 0.032 0.000 1.274 144 Y CB 0.228 38.705 38.460 0.028 0.000 1.097 144 Y HN 0.236 nan 8.280 nan 0.000 0.523 145 L N -0.354 120.973 121.223 0.173 0.000 2.352 145 L HA 0.813 5.153 4.340 -0.000 0.000 0.269 145 L C 0.455 177.390 176.870 0.108 0.000 1.034 145 L CA -0.687 54.237 54.840 0.141 0.000 0.806 145 L CB 1.535 43.674 42.059 0.133 0.000 1.244 145 L HN 0.102 nan 8.230 nan 0.000 0.447 146 G N 0.858 109.726 108.800 0.113 0.000 2.646 146 G HA2 0.596 4.556 3.960 -0.000 0.000 0.291 146 G HA3 0.596 4.556 3.960 -0.000 0.000 0.291 146 G C -2.126 172.814 174.900 0.067 0.000 1.445 146 G CA -0.436 44.711 45.100 0.078 0.000 0.814 146 G HN 0.580 nan 8.290 nan 0.000 0.495 147 Q N -1.175 118.626 119.800 0.003 0.000 2.435 147 Q HA 0.744 5.084 4.340 -0.000 0.000 0.282 147 Q C -1.949 173.975 176.000 -0.127 0.000 1.020 147 Q CA -1.085 54.644 55.803 -0.124 0.000 0.820 147 Q CB 2.595 31.221 28.738 -0.186 0.000 1.436 147 Q HN 0.596 nan 8.270 nan 0.000 0.395 148 V N 0.711 120.509 119.914 -0.193 0.000 2.760 148 V HA 0.789 4.909 4.120 -0.000 0.000 0.309 148 V C -0.825 175.178 176.094 -0.151 0.000 1.077 148 V CA -0.389 61.834 62.300 -0.128 0.000 0.910 148 V CB 1.994 33.763 31.823 -0.091 0.000 1.008 148 V HN 0.951 nan 8.190 nan 0.000 0.424 149 T N 1.981 116.481 114.554 -0.091 0.000 2.853 149 T HA 0.548 4.898 4.350 -0.000 0.000 0.311 149 T C -0.873 173.809 174.700 -0.032 0.000 1.307 149 T CA -0.175 61.884 62.100 -0.068 0.000 1.019 149 T CB 2.056 70.890 68.868 -0.056 0.000 1.264 149 T HN 0.701 nan 8.240 nan 0.000 0.497 150 T N 3.233 117.775 114.554 -0.019 0.000 2.824 150 T HA 0.674 5.024 4.350 -0.000 0.000 0.280 150 T C -0.451 174.251 174.700 0.003 0.000 0.995 150 T CA -0.429 61.666 62.100 -0.009 0.000 1.009 150 T CB 0.463 69.328 68.868 -0.006 0.000 0.955 150 T HN 0.442 nan 8.240 nan 0.000 0.452 151 I N 3.211 123.782 120.570 0.002 0.000 2.410 151 I HA 0.454 4.624 4.170 -0.000 0.000 0.286 151 I C -0.442 175.673 176.117 -0.003 0.000 1.009 151 I CA -0.886 60.416 61.300 0.004 0.000 1.111 151 I CB 1.601 39.606 38.000 0.008 0.000 1.262 151 I HN 0.277 nan 8.210 nan 0.000 0.443 152 K N 6.976 127.375 120.400 -0.002 0.000 2.545 152 K HA 0.302 4.621 4.320 -0.000 0.000 0.252 152 K C -0.549 176.046 176.600 -0.008 0.000 0.948 152 K CA -0.749 55.537 56.287 -0.002 0.000 0.827 152 K CB 1.340 33.843 32.500 0.005 0.000 1.128 152 K HN 0.387 nan 8.250 nan 0.000 0.429 153 K N 2.535 122.926 120.400 -0.014 0.000 2.530 153 K HA 0.082 4.402 4.320 -0.000 0.000 0.280 153 K C 0.590 177.182 176.600 -0.012 0.000 1.004 153 K CA 1.764 58.039 56.287 -0.020 0.000 1.071 153 K CB -0.069 32.418 32.500 -0.022 0.000 0.876 153 K HN 0.838 nan 8.250 nan 0.000 0.487 154 G N 2.049 110.840 108.800 -0.015 0.000 2.189 154 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.267 154 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.267 154 G C 0.447 175.345 174.900 -0.004 0.000 0.975 154 G CA 0.476 45.570 45.100 -0.009 0.000 0.644 154 G HN 0.491 nan 8.290 nan 0.000 0.537 155 V N -0.316 119.596 119.914 -0.004 0.000 3.159 155 V HA 0.342 4.462 4.120 -0.000 0.000 0.234 155 V C 1.366 177.462 176.094 0.004 0.000 1.313 155 V CA 1.958 64.259 62.300 0.002 0.000 1.271 155 V CB 0.611 32.437 31.823 0.005 0.000 1.053 155 V HN 1.018 nan 8.190 nan 0.000 0.476 156 T N -1.997 112.557 114.554 0.001 0.000 2.858 156 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 156 T C -0.438 174.259 174.700 -0.005 0.000 1.052 156 T CA -0.663 61.440 62.100 0.005 0.000 1.009 156 T CB 2.172 71.046 68.868 0.011 0.000 1.241 156 T HN 0.217 nan 8.240 nan 0.000 0.542 157 E N -0.193 120.008 120.200 0.001 0.000 2.409 157 E HA 0.397 4.747 4.350 -0.000 0.000 0.257 157 E C 0.428 177.017 176.600 -0.017 0.000 1.150 157 E CA -0.674 55.712 56.400 -0.024 0.000 0.942 157 E CB 0.514 30.205 29.700 -0.015 0.000 0.979 157 E HN 0.856 nan 8.360 nan 0.000 0.447 158 C N 0.127 119.403 119.300 -0.040 0.000 2.380 158 C HA 0.285 4.745 4.460 -0.000 0.000 0.393 158 C C 1.599 176.610 174.990 0.035 0.000 1.284 158 C CA -0.723 58.287 59.018 -0.014 0.000 2.033 158 C CB -0.175 27.528 27.740 -0.062 0.000 2.165 158 C HN 0.898 nan 8.230 nan 0.000 0.540 159 Y N 0.798 121.060 120.300 -0.063 0.000 2.333 159 Y HA 0.026 4.576 4.550 0.000 0.000 0.290 159 Y C 2.197 178.091 175.900 -0.009 0.000 1.144 159 Y CA 2.306 60.389 58.100 -0.029 0.000 1.228 159 Y CB -0.165 38.274 38.460 -0.035 0.000 0.985 159 Y HN 0.805 nan 8.280 nan 0.000 0.542 160 E N -2.139 118.021 120.200 -0.068 0.000 2.481 160 E HA 0.025 4.375 4.350 -0.000 0.000 0.198 160 E C 1.830 178.385 176.600 -0.076 0.000 1.027 160 E CA 0.025 56.367 56.400 -0.096 0.000 0.900 160 E CB -0.196 29.464 29.700 -0.066 0.000 0.993 160 E HN 0.353 nan 8.360 nan 0.000 0.482 161 C N 0.907 120.122 119.300 -0.141 0.000 2.419 161 C HA -0.084 4.376 4.460 -0.000 0.000 0.283 161 C C 0.724 175.460 174.990 -0.423 0.000 1.373 161 C CA 0.707 59.566 59.018 -0.265 0.000 1.781 161 C CB -0.698 26.849 27.740 -0.322 0.000 1.886 161 C HN 0.415 nan 8.230 nan 0.000 0.520 162 H N -1.045 118.012 119.070 -0.022 0.000 2.651 162 H HA 0.274 4.830 4.556 -0.000 0.000 0.252 162 H C -2.577 172.710 175.328 -0.068 0.000 1.365 162 H CA -1.689 54.346 56.048 -0.022 0.000 1.539 162 H CB 0.029 29.782 29.762 -0.015 0.000 1.621 162 H HN 0.203 nan 8.280 nan 0.000 0.526 163 P HA 0.005 nan 4.420 nan 0.000 0.269 163 P C -0.069 177.223 177.300 -0.013 0.000 1.217 163 P CA -0.061 63.031 63.100 -0.012 0.000 0.783 163 P CB 1.202 32.934 31.700 0.054 0.000 0.898 164 K N 1.911 122.287 120.400 -0.041 0.000 2.095 164 K HA 0.423 4.743 4.320 -0.000 0.000 0.252 164 K C -2.065 174.534 176.600 -0.001 0.000 0.977 164 K CA -1.778 54.501 56.287 -0.014 0.000 0.900 164 K CB -0.758 31.737 32.500 -0.007 0.000 1.060 164 K HN 0.388 nan 8.250 nan 0.000 0.449 165 P HA 0.003 nan 4.420 nan 0.000 0.263 165 P C -0.707 176.588 177.300 -0.008 0.000 1.195 165 P CA -0.118 62.977 63.100 -0.010 0.000 0.762 165 P CB 0.276 31.969 31.700 -0.012 0.000 0.799 166 T N 3.160 117.703 114.554 -0.019 0.000 2.795 166 T HA 0.065 4.415 4.350 -0.000 0.000 0.314 166 T C 0.624 175.306 174.700 -0.030 0.000 1.069 166 T CA -0.501 61.588 62.100 -0.018 0.000 1.071 166 T CB 0.238 69.085 68.868 -0.034 0.000 0.988 166 T HN 0.523 nan 8.240 nan 0.000 0.543 167 Q N 1.731 121.517 119.800 -0.024 0.000 2.327 167 Q HA 0.165 4.505 4.340 -0.000 0.000 0.254 167 Q C -0.055 175.885 176.000 -0.100 0.000 0.952 167 Q CA -0.606 55.176 55.803 -0.036 0.000 0.884 167 Q CB 0.596 29.334 28.738 0.000 0.000 1.224 167 Q HN 0.588 nan 8.270 nan 0.000 0.422 168 R N 1.924 122.337 120.500 -0.144 0.000 2.501 168 R HA 0.036 4.376 4.340 -0.000 0.000 0.319 168 R C -0.739 175.230 176.300 -0.551 0.000 0.913 168 R CA 0.639 56.549 56.100 -0.317 0.000 1.104 168 R CB 0.033 30.155 30.300 -0.296 0.000 0.901 168 R HN 0.659 nan 8.270 nan 0.000 0.407 169 T N 4.647 118.883 114.554 -0.530 0.000 2.944 169 T HA 0.496 4.846 4.350 -0.000 0.000 0.284 169 T C -0.645 173.628 174.700 -0.712 0.000 1.010 169 T CA -0.303 61.524 62.100 -0.456 0.000 1.025 169 T CB 0.719 69.487 68.868 -0.167 0.000 1.079 169 T HN 0.348 nan 8.240 nan 0.000 0.516 170 F N 1.295 121.288 119.950 0.072 0.000 2.577 170 F HA 0.496 5.023 4.527 -0.000 0.000 0.318 170 F C -2.037 173.807 175.800 0.073 0.000 1.065 170 F CA -2.474 55.576 58.000 0.083 0.000 0.929 170 F CB 1.070 40.151 39.000 0.134 0.000 1.237 170 F HN 0.286 nan 8.300 nan 0.000 0.468 171 P HA 0.161 nan 4.420 nan 0.000 0.282 171 P C 0.604 177.979 177.300 0.125 0.000 1.274 171 P CA -0.174 62.996 63.100 0.117 0.000 0.770 171 P CB 1.276 33.008 31.700 0.054 0.000 0.867 172 G N 2.974 111.846 108.800 0.120 0.000 2.601 172 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.214 172 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.214 172 G C 1.193 176.135 174.900 0.070 0.000 1.132 172 G CA 0.744 45.917 45.100 0.121 0.000 0.761 172 G HN 0.615 nan 8.290 nan 0.000 0.550 173 A N 0.699 123.537 122.820 0.030 0.000 1.850 173 A HA 0.077 4.397 4.320 -0.000 0.000 0.212 173 A C 2.653 180.209 177.584 -0.046 0.000 1.208 173 A CA 2.161 54.187 52.037 -0.018 0.000 0.609 173 A CB -0.895 18.081 19.000 -0.039 0.000 0.860 173 A HN 0.456 nan 8.150 nan 0.000 0.448 174 T N -1.116 113.392 114.554 -0.076 0.000 2.915 174 T HA -0.003 4.347 4.350 -0.000 0.000 0.269 174 T C 1.742 176.328 174.700 -0.190 0.000 1.071 174 T CA 1.365 63.367 62.100 -0.164 0.000 1.132 174 T CB -0.573 68.148 68.868 -0.245 0.000 0.878 174 T HN 0.301 nan 8.240 nan 0.000 0.479 175 I N 0.717 121.236 120.570 -0.084 0.000 2.493 175 I HA -0.057 4.113 4.170 -0.000 0.000 0.254 175 I C 2.901 179.068 176.117 0.083 0.000 1.160 175 I CA 1.122 62.414 61.300 -0.014 0.000 1.445 175 I CB -0.226 37.869 38.000 0.159 0.000 1.086 175 I HN 0.183 nan 8.210 nan 0.000 0.433 176 R N -0.158 120.393 120.500 0.085 0.000 2.225 176 R HA 0.130 4.470 4.340 -0.000 0.000 0.194 176 R C 1.442 177.765 176.300 0.039 0.000 0.957 176 R CA 0.434 56.612 56.100 0.129 0.000 1.042 176 R CB 0.190 30.567 30.300 0.128 0.000 1.004 176 R HN 0.346 nan 8.270 nan 0.000 0.509 177 N N -0.872 117.813 118.700 -0.025 0.000 2.380 177 N HA 0.046 4.786 4.740 -0.000 0.000 0.227 177 N C -0.269 175.252 175.510 0.017 0.000 1.139 177 N CA 0.606 53.648 53.050 -0.013 0.000 0.843 177 N CB 1.532 39.968 38.487 -0.086 0.000 1.327 177 N HN -0.110 nan 8.380 nan 0.000 0.470 178 T N 3.295 117.793 114.554 -0.093 0.000 3.418 178 T HA 0.259 4.609 4.350 -0.000 0.000 0.315 178 T C -2.874 171.703 174.700 -0.204 0.000 1.447 178 T CA -0.898 61.161 62.100 -0.069 0.000 1.641 178 T CB 2.302 71.042 68.868 -0.212 0.000 0.904 178 T HN 0.021 nan 8.240 nan 0.000 0.640 179 P HA 0.372 nan 4.420 nan 0.000 0.275 179 P C -0.002 177.160 177.300 -0.229 0.000 1.227 179 P CA -0.274 62.527 63.100 -0.499 0.000 0.781 179 P CB 1.579 32.840 31.700 -0.733 0.000 0.906 180 S N 0.597 116.298 115.700 0.002 0.000 2.663 180 S HA 0.120 4.590 4.470 -0.000 0.000 0.247 180 S C 0.316 175.025 174.600 0.181 0.000 1.074 180 S CA -0.014 58.268 58.200 0.137 0.000 0.955 180 S CB 0.427 63.710 63.200 0.137 0.000 0.901 180 S HN 0.516 nan 8.310 nan 0.000 0.505 181 E N 1.104 121.502 120.200 0.330 0.000 2.263 181 E HA 0.326 4.676 4.350 -0.000 0.000 0.264 181 E C -2.306 174.197 176.600 -0.162 0.000 0.923 181 E CA -2.413 53.947 56.400 -0.068 0.000 0.802 181 E CB 1.258 30.738 29.700 -0.366 0.000 1.228 181 E HN -0.168 nan 8.360 nan 0.000 0.417 182 P HA -0.156 nan 4.420 nan 0.000 0.215 182 P C 1.289 178.467 177.300 -0.204 0.000 1.153 182 P CA 0.752 63.770 63.100 -0.136 0.000 0.853 182 P CB 0.150 31.795 31.700 -0.092 0.000 0.788 183 I N -1.010 119.385 120.570 -0.293 0.000 2.399 183 I HA -0.273 3.897 4.170 -0.000 0.000 0.254 183 I C 1.925 177.742 176.117 -0.501 0.000 1.146 183 I CA 1.782 62.869 61.300 -0.355 0.000 1.412 183 I CB -0.741 37.058 38.000 -0.336 0.000 1.076 183 I HN 0.051 nan 8.210 nan 0.000 0.432 184 H N -1.443 117.361 119.070 -0.443 0.000 2.357 184 H HA -0.140 4.416 4.556 -0.000 0.000 0.301 184 H C 2.383 177.521 175.328 -0.317 0.000 1.082 184 H CA 1.642 57.388 56.048 -0.503 0.000 1.342 184 H CB -0.277 29.243 29.762 -0.404 0.000 1.389 184 H HN 0.401 nan 8.280 nan 0.000 0.511 185 C N 0.397 119.623 119.300 -0.124 0.000 2.446 185 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 185 C C 2.692 177.703 174.990 0.035 0.000 1.275 185 C CA 0.471 59.450 59.018 -0.064 0.000 1.727 185 C CB -0.767 26.912 27.740 -0.102 0.000 2.010 185 C HN 0.507 nan 8.230 nan 0.000 0.486 186 I N 0.783 121.306 120.570 -0.079 0.000 2.226 186 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 186 I C 2.465 178.477 176.117 -0.176 0.000 1.100 186 I CA 1.377 62.617 61.300 -0.099 0.000 1.374 186 I CB -0.553 37.369 38.000 -0.129 0.000 1.057 186 I HN 0.145 nan 8.210 nan 0.000 0.413 187 V N -0.008 119.746 119.914 -0.268 0.000 2.343 187 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 187 V C 2.146 177.899 176.094 -0.568 0.000 1.051 187 V CA 2.047 64.065 62.300 -0.471 0.000 1.036 187 V CB -0.722 30.785 31.823 -0.527 0.000 0.654 187 V HN 0.631 nan 8.190 nan 0.000 0.451 188 W N 1.064 122.108 121.300 -0.428 0.000 2.335 188 W HA -0.228 4.432 4.660 -0.000 0.000 0.311 188 W C 2.446 178.923 176.519 -0.071 0.000 1.213 188 W CA 2.250 59.467 57.345 -0.213 0.000 1.274 188 W CB -0.380 29.005 29.460 -0.125 0.000 1.148 188 W HN 0.190 nan 8.180 nan 0.000 0.498 189 A N 0.433 123.291 122.820 0.063 0.000 1.902 189 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 189 A C 1.952 179.514 177.584 -0.036 0.000 1.181 189 A CA 2.029 54.054 52.037 -0.019 0.000 0.623 189 A CB -0.706 18.348 19.000 0.089 0.000 0.818 189 A HN 0.399 nan 8.150 nan 0.000 0.443 190 K N -1.401 118.885 120.400 -0.189 0.000 2.148 190 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 190 K C 1.835 178.445 176.600 0.017 0.000 1.050 190 K CA 1.417 57.542 56.287 -0.270 0.000 0.942 190 K CB -0.316 31.883 32.500 -0.501 0.000 0.724 190 K HN 0.730 nan 8.250 nan 0.000 0.446 191 Y N 0.602 120.843 120.300 -0.099 0.000 2.163 191 Y HA -0.238 4.311 4.550 -0.000 0.000 0.288 191 Y C 2.417 178.268 175.900 -0.083 0.000 1.136 191 Y CA 0.085 58.136 58.100 -0.080 0.000 1.147 191 Y CB -0.119 38.275 38.460 -0.111 0.000 0.987 191 Y HN 0.011 nan 8.280 nan 0.000 0.509 192 L N -0.019 121.189 121.223 -0.025 0.000 2.043 192 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 192 L C 2.166 179.144 176.870 0.179 0.000 1.075 192 L CA 1.644 56.456 54.840 -0.046 0.000 0.752 192 L CB -0.979 40.931 42.059 -0.248 0.000 0.891 192 L HN 0.207 nan 8.230 nan 0.000 0.432 193 F N 0.478 120.536 119.950 0.180 0.000 2.069 193 F HA -0.272 4.254 4.527 -0.000 0.000 0.298 193 F C 2.344 178.200 175.800 0.094 0.000 1.113 193 F CA 2.111 60.179 58.000 0.113 0.000 1.214 193 F CB -0.478 38.595 39.000 0.122 0.000 0.978 193 F HN 0.257 nan 8.300 nan 0.000 0.474 194 N N 0.364 119.182 118.700 0.197 0.000 2.043 194 N HA -0.200 4.540 4.740 -0.000 0.000 0.193 194 N C 1.800 177.278 175.510 -0.053 0.000 1.037 194 N CA 1.578 54.679 53.050 0.086 0.000 0.851 194 N CB -0.859 37.718 38.487 0.149 0.000 1.027 194 N HN 0.411 nan 8.380 nan 0.000 0.422 195 Q N 0.668 120.445 119.800 -0.038 0.000 2.173 195 Q HA -0.097 4.243 4.340 -0.000 0.000 0.208 195 Q C 2.340 178.251 176.000 -0.148 0.000 0.989 195 Q CA 1.045 56.806 55.803 -0.070 0.000 0.872 195 Q CB -0.395 28.317 28.738 -0.043 0.000 0.909 195 Q HN 0.475 nan 8.270 nan 0.000 0.420 196 L N -1.872 119.188 121.223 -0.272 0.000 2.084 196 L HA -0.023 4.317 4.340 -0.000 0.000 0.202 196 L C 1.766 178.154 176.870 -0.803 0.000 1.074 196 L CA 0.831 55.338 54.840 -0.555 0.000 0.757 196 L CB -0.198 41.355 42.059 -0.844 0.000 0.918 196 L HN 0.091 nan 8.230 nan 0.000 0.444 197 F N -1.043 118.567 119.950 -0.567 0.000 2.724 197 F HA 0.331 4.858 4.527 0.000 0.000 0.306 197 F C 1.388 176.962 175.800 -0.377 0.000 1.100 197 F CA -0.011 57.645 58.000 -0.574 0.000 1.255 197 F CB -0.071 38.380 39.000 -0.916 0.000 1.072 197 F HN -0.057 nan 8.300 nan 0.000 0.589 198 G N -0.415 108.291 108.800 -0.157 0.000 3.175 198 G HA2 0.263 4.223 3.960 -0.000 0.000 0.153 198 G HA3 0.263 4.223 3.960 -0.000 0.000 0.153 198 G C -1.013 173.891 174.900 0.006 0.000 1.216 198 G CA -0.453 44.642 45.100 -0.009 0.000 0.943 198 G HN 0.031 nan 8.290 nan 0.000 0.611 199 E N 0.451 120.680 120.200 0.049 0.000 2.338 199 E HA 0.223 4.573 4.350 -0.000 0.000 0.272 199 E C -0.557 176.052 176.600 0.015 0.000 1.029 199 E CA 0.035 56.455 56.400 0.033 0.000 0.872 199 E CB 0.554 30.285 29.700 0.052 0.000 1.015 199 E HN 0.351 nan 8.360 nan 0.000 0.417 200 E N 3.072 123.270 120.200 -0.004 0.000 2.249 200 E HA 0.220 4.570 4.350 -0.000 0.000 0.280 200 E C -0.836 175.750 176.600 -0.023 0.000 1.016 200 E CA -0.458 55.931 56.400 -0.020 0.000 0.830 200 E CB 1.269 30.956 29.700 -0.023 0.000 1.081 200 E HN 0.328 nan 8.360 nan 0.000 0.395 201 D N 1.218 121.589 120.400 -0.048 0.000 2.936 201 D HA 0.206 4.846 4.640 -0.000 0.000 0.238 201 D C 0.213 176.460 176.300 -0.088 0.000 1.248 201 D CA -0.473 53.490 54.000 -0.061 0.000 0.903 201 D CB 1.848 42.605 40.800 -0.073 0.000 1.544 201 D HN 0.444 nan 8.370 nan 0.000 0.543 202 A N 3.499 126.284 122.820 -0.058 0.000 1.986 202 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 202 A C 1.288 178.820 177.584 -0.086 0.000 1.171 202 A CA 1.775 53.780 52.037 -0.053 0.000 0.640 202 A CB -0.227 18.760 19.000 -0.023 0.000 0.811 202 A HN 0.618 nan 8.150 nan 0.000 0.451 203 D N -0.824 119.507 120.400 -0.115 0.000 2.349 203 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 203 D C 1.313 177.389 176.300 -0.374 0.000 1.029 203 D CA 0.594 54.500 54.000 -0.156 0.000 0.879 203 D CB 0.084 40.824 40.800 -0.101 0.000 0.906 203 D HN 0.611 nan 8.370 nan 0.000 0.528 204 Q N 0.328 119.855 119.800 -0.455 0.000 2.175 204 Q HA 0.088 4.428 4.340 -0.000 0.000 0.225 204 Q C -0.339 175.450 176.000 -0.352 0.000 0.837 204 Q CA -0.237 55.056 55.803 -0.850 0.000 1.032 204 Q CB 0.916 29.214 28.738 -0.734 0.000 1.137 204 Q HN 0.191 nan 8.270 nan 0.000 0.483 205 E N 1.288 121.385 120.200 -0.173 0.000 2.452 205 E HA -0.077 4.273 4.350 -0.000 0.000 0.261 205 E C 0.653 177.270 176.600 0.029 0.000 0.987 205 E CA 0.164 56.535 56.400 -0.048 0.000 0.926 205 E CB 1.805 31.494 29.700 -0.017 0.000 0.934 205 E HN 0.020 nan 8.360 nan 0.000 0.452 206 V N 2.864 122.799 119.914 0.034 0.000 2.992 206 V HA -0.059 4.061 4.120 -0.000 0.000 0.250 206 V C 0.627 176.863 176.094 0.237 0.000 1.090 206 V CA 0.638 62.976 62.300 0.063 0.000 1.101 206 V CB 0.386 32.123 31.823 -0.144 0.000 0.743 206 V HN 0.488 nan 8.190 nan 0.000 0.468 207 S N 2.918 118.707 115.700 0.148 0.000 2.576 207 S HA 0.202 4.672 4.470 -0.000 0.000 0.272 207 S C -2.399 172.294 174.600 0.155 0.000 1.352 207 S CA -0.349 57.941 58.200 0.150 0.000 1.021 207 S CB 0.578 63.825 63.200 0.077 0.000 0.887 207 S HN 0.520 nan 8.310 nan 0.000 0.542 208 P HA 0.043 nan 4.420 nan 0.000 0.269 208 P C -0.775 176.534 177.300 0.015 0.000 1.252 208 P CA -0.201 62.955 63.100 0.092 0.000 0.780 208 P CB 0.173 31.928 31.700 0.091 0.000 0.829 209 D N 4.046 124.432 120.400 -0.024 0.000 2.389 209 D HA -0.058 4.582 4.640 -0.000 0.000 0.263 209 D C 1.295 177.472 176.300 -0.205 0.000 1.255 209 D CA -0.037 53.917 54.000 -0.076 0.000 0.914 209 D CB 0.467 41.236 40.800 -0.051 0.000 1.116 209 D HN 0.339 nan 8.370 nan 0.000 0.502 210 R N 2.894 123.227 120.500 -0.279 0.000 2.423 210 R HA 0.309 4.649 4.340 -0.000 0.000 0.248 210 R C 0.436 176.464 176.300 -0.452 0.000 1.019 210 R CA -0.037 55.692 56.100 -0.617 0.000 1.119 210 R CB 0.184 30.011 30.300 -0.788 0.000 1.176 210 R HN 0.192 nan 8.270 nan 0.000 0.526 211 A N 0.538 123.223 122.820 -0.225 0.000 2.545 211 A HA 0.069 4.389 4.320 -0.000 0.000 0.263 211 A C -0.350 177.182 177.584 -0.086 0.000 1.202 211 A CA -0.382 51.589 52.037 -0.110 0.000 0.959 211 A CB 0.269 19.239 19.000 -0.050 0.000 1.124 211 A HN 0.399 nan 8.150 nan 0.000 0.543 212 D N 0.789 121.114 120.400 -0.125 0.000 2.358 212 D HA 0.274 4.914 4.640 -0.000 0.000 0.258 212 D C -1.639 174.615 176.300 -0.076 0.000 1.223 212 D CA -1.413 52.529 54.000 -0.098 0.000 0.886 212 D CB 1.129 41.854 40.800 -0.126 0.000 1.120 212 D HN 0.032 nan 8.370 nan 0.000 0.482 213 P HA -0.081 nan 4.420 nan 0.000 0.226 213 P C 0.846 178.119 177.300 -0.045 0.000 1.153 213 P CA 0.523 63.605 63.100 -0.031 0.000 0.777 213 P CB 0.174 31.861 31.700 -0.021 0.000 0.794 214 E N -0.215 119.942 120.200 -0.071 0.000 2.333 214 E HA -0.043 4.307 4.350 -0.000 0.000 0.198 214 E C 0.008 176.546 176.600 -0.102 0.000 1.007 214 E CA 0.256 56.601 56.400 -0.091 0.000 0.845 214 E CB -0.020 29.607 29.700 -0.122 0.000 0.766 214 E HN 0.079 nan 8.360 nan 0.000 0.507 215 A N 0.251 123.015 122.820 -0.093 0.000 2.442 215 A HA 0.628 4.948 4.320 -0.000 0.000 0.284 215 A C -0.411 177.165 177.584 -0.013 0.000 1.058 215 A CA -0.210 51.780 52.037 -0.078 0.000 0.738 215 A CB 1.264 20.182 19.000 -0.137 0.000 1.242 215 A HN 0.188 nan 8.150 nan 0.000 0.421 216 A N 1.989 124.825 122.820 0.027 0.000 2.583 216 A HA 0.328 4.648 4.320 -0.000 0.000 0.231 216 A C 0.612 178.329 177.584 0.221 0.000 1.065 216 A CA 0.761 52.854 52.037 0.093 0.000 0.760 216 A CB 0.106 19.144 19.000 0.064 0.000 1.001 216 A HN 1.315 nan 8.150 nan 0.000 0.509 217 W N -0.127 121.152 121.300 -0.035 0.000 4.410 217 W HA 0.246 4.906 4.660 0.000 0.000 0.577 217 W C 0.359 176.866 176.519 -0.020 0.000 3.396 217 W CA -0.185 57.142 57.345 -0.031 0.000 1.176 217 W CB 0.234 29.684 29.460 -0.018 0.000 2.173 217 W HN 0.653 nan 8.180 nan 0.000 0.374 241 K N 1.858 122.274 120.400 0.028 0.000 2.063 241 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 241 K C 1.707 178.261 176.600 -0.075 0.000 1.048 241 K CA 1.984 58.242 56.287 -0.049 0.000 0.928 241 K CB -0.200 32.269 32.500 -0.052 0.000 0.713 241 K HN 0.589 nan 8.250 nan 0.000 0.442 242 E N -0.615 119.576 120.200 -0.015 0.000 2.007 242 E HA -0.242 4.107 4.350 -0.000 0.000 0.203 242 E C 1.862 178.446 176.600 -0.027 0.000 1.020 242 E CA 1.776 58.165 56.400 -0.019 0.000 0.845 242 E CB -0.702 29.015 29.700 0.029 0.000 0.779 242 E HN 0.420 nan 8.360 nan 0.000 0.466 243 W N 2.023 123.256 121.300 -0.113 0.000 2.301 243 W HA -0.327 4.333 4.660 0.000 0.000 0.325 243 W C 2.489 178.905 176.519 -0.171 0.000 1.250 243 W CA 2.550 59.827 57.345 -0.113 0.000 1.261 243 W CB -0.813 28.602 29.460 -0.074 0.000 1.157 243 W HN 0.116 nan 8.180 nan 0.000 0.473 244 A N 0.548 122.984 122.820 -0.641 0.000 1.884 244 A HA -0.341 3.979 4.320 -0.000 0.000 0.219 244 A C 2.143 179.074 177.584 -1.087 0.000 1.197 244 A CA 2.713 54.161 52.037 -0.982 0.000 0.637 244 A CB -1.250 17.431 19.000 -0.532 0.000 0.827 244 A HN 0.483 nan 8.150 nan 0.000 0.450 245 K N -0.016 119.837 120.400 -0.910 0.000 2.148 245 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 245 K C 2.287 178.550 176.600 -0.561 0.000 1.050 245 K CA 1.615 57.349 56.287 -0.922 0.000 0.942 245 K CB -0.182 32.022 32.500 -0.493 0.000 0.724 245 K HN 0.658 nan 8.250 nan 0.000 0.446 246 S N -0.192 115.271 115.700 -0.395 0.000 2.383 246 S HA -0.137 4.333 4.470 -0.000 0.000 0.227 246 S C 1.955 176.406 174.600 -0.248 0.000 1.026 246 S CA 1.549 59.608 58.200 -0.236 0.000 0.981 246 S CB -0.868 62.264 63.200 -0.113 0.000 0.818 246 S HN 0.479 nan 8.310 nan 0.000 0.472 247 T N -2.127 112.206 114.554 -0.369 0.000 3.160 247 T HA 0.384 4.734 4.350 -0.000 0.000 0.257 247 T C 1.570 176.111 174.700 -0.265 0.000 1.147 247 T CA 0.694 62.617 62.100 -0.295 0.000 1.064 247 T CB -0.760 67.868 68.868 -0.401 0.000 0.949 247 T HN 1.340 nan 8.240 nan 0.000 0.526 248 G N 0.945 109.541 108.800 -0.340 0.000 2.160 248 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.251 248 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.251 248 G C 0.192 175.015 174.900 -0.128 0.000 1.008 248 G CA -0.136 44.833 45.100 -0.219 0.000 0.724 248 G HN 0.650 nan 8.290 nan 0.000 0.514 249 Y N -1.691 118.472 120.300 -0.228 0.000 3.091 249 Y HA -0.172 4.378 4.550 0.000 0.000 0.189 249 Y C 0.790 176.596 175.900 -0.157 0.000 1.520 249 Y CA 0.640 58.602 58.100 -0.229 0.000 1.121 249 Y CB -1.903 36.472 38.460 -0.141 0.000 1.411 249 Y HN 0.639 nan 8.280 nan 0.000 0.459 250 D N 0.937 121.287 120.400 -0.084 0.000 2.336 250 D HA 0.222 4.862 4.640 -0.000 0.000 0.249 250 D C -1.327 174.955 176.300 -0.030 0.000 1.213 250 D CA -1.866 52.101 54.000 -0.056 0.000 0.870 250 D CB 1.036 41.793 40.800 -0.071 0.000 1.076 250 D HN 0.017 nan 8.370 nan 0.000 0.483 251 P HA -0.241 nan 4.420 nan 0.000 0.216 251 P C 1.340 178.638 177.300 -0.004 0.000 1.154 251 P CA 0.754 63.857 63.100 0.004 0.000 0.865 251 P CB 0.217 31.873 31.700 -0.074 0.000 0.789 252 V N -0.705 119.029 119.914 -0.300 0.000 2.295 252 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 252 V C 2.301 178.430 176.094 0.058 0.000 1.049 252 V CA 1.902 63.947 62.300 -0.426 0.000 1.024 252 V CB -1.000 30.493 31.823 -0.551 0.000 0.648 252 V HN 0.021 nan 8.190 nan 0.000 0.447 253 K N 0.273 120.737 120.400 0.106 0.000 2.002 253 K HA -0.061 4.259 4.320 -0.000 0.000 0.209 253 K C 2.001 178.902 176.600 0.501 0.000 1.048 253 K CA 1.463 57.922 56.287 0.287 0.000 0.930 253 K CB -0.819 31.807 32.500 0.210 0.000 0.714 253 K HN 0.319 nan 8.250 nan 0.000 0.438 254 L N -0.524 120.910 121.223 0.352 0.000 2.042 254 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 254 L C 2.229 179.516 176.870 0.696 0.000 1.076 254 L CA 1.333 56.470 54.840 0.495 0.000 0.749 254 L CB -0.421 41.845 42.059 0.346 0.000 0.893 254 L HN 0.133 nan 8.230 nan 0.000 0.432 255 F N 0.810 121.126 119.950 0.611 0.000 2.046 255 F HA -0.291 4.236 4.527 -0.000 0.000 0.297 255 F C 2.593 178.720 175.800 0.545 0.000 1.123 255 F CA 2.353 60.761 58.000 0.679 0.000 1.199 255 F CB -0.444 38.916 39.000 0.600 0.000 0.972 255 F HN -0.041 nan 8.300 nan 0.000 0.474 256 T N 0.974 115.971 114.554 0.738 0.000 2.653 256 T HA -0.294 4.056 4.350 -0.000 0.000 0.268 256 T C 2.083 176.949 174.700 0.277 0.000 1.035 256 T CA 1.790 64.194 62.100 0.508 0.000 1.154 256 T CB -0.431 68.671 68.868 0.390 0.000 0.862 256 T HN 0.137 nan 8.240 nan 0.000 0.441 257 K N 0.991 121.549 120.400 0.263 0.000 2.057 257 K HA 0.005 4.325 4.320 -0.000 0.000 0.207 257 K C 2.191 178.795 176.600 0.008 0.000 1.049 257 K CA 1.265 57.595 56.287 0.072 0.000 0.931 257 K CB -0.431 32.035 32.500 -0.058 0.000 0.714 257 K HN 0.382 nan 8.250 nan 0.000 0.440 258 L N -0.734 120.462 121.223 -0.044 0.000 2.341 258 L HA 0.011 4.351 4.340 -0.000 0.000 0.214 258 L C 1.335 177.784 176.870 -0.702 0.000 1.115 258 L CA 0.547 55.178 54.840 -0.349 0.000 0.820 258 L CB -0.029 41.714 42.059 -0.527 0.000 0.944 258 L HN 0.028 nan 8.230 nan 0.000 0.452 259 F N -1.546 118.325 119.950 -0.132 0.000 2.706 259 F HA 0.195 4.722 4.527 -0.000 0.000 0.313 259 F C 1.949 177.698 175.800 -0.086 0.000 1.096 259 F CA -0.122 57.736 58.000 -0.235 0.000 1.219 259 F CB 0.374 38.975 39.000 -0.664 0.000 1.051 259 F HN -0.180 nan 8.300 nan 0.000 0.568 260 K N 0.213 120.682 120.400 0.115 0.000 2.537 260 K HA 0.067 4.387 4.320 -0.000 0.000 0.216 260 K C 1.150 177.805 176.600 0.091 0.000 1.349 260 K CA 0.403 56.772 56.287 0.137 0.000 0.841 260 K CB -0.005 32.624 32.500 0.215 0.000 1.659 260 K HN -0.190 nan 8.250 nan 0.000 0.435 261 D N 1.813 122.262 120.400 0.081 0.000 2.088 261 D HA -0.173 4.467 4.640 -0.000 0.000 0.191 261 D C 1.474 177.824 176.300 0.084 0.000 0.992 261 D CA 1.601 55.635 54.000 0.056 0.000 0.831 261 D CB -0.463 40.333 40.800 -0.007 0.000 0.973 261 D HN 0.245 nan 8.370 nan 0.000 0.447 262 D N -0.063 120.374 120.400 0.061 0.000 2.123 262 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 262 D C 2.096 178.475 176.300 0.133 0.000 0.992 262 D CA 0.464 54.541 54.000 0.128 0.000 0.833 262 D CB -0.336 40.518 40.800 0.090 0.000 0.954 262 D HN 0.153 nan 8.370 nan 0.000 0.455 263 I N 0.375 120.981 120.570 0.061 0.000 2.361 263 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 263 I C 2.353 178.487 176.117 0.027 0.000 1.133 263 I CA 0.898 62.210 61.300 0.021 0.000 1.413 263 I CB -0.274 37.698 38.000 -0.046 0.000 1.073 263 I HN -0.072 nan 8.210 nan 0.000 0.424 264 R N -0.632 119.906 120.500 0.064 0.000 2.075 264 R HA -0.200 4.140 4.340 -0.000 0.000 0.226 264 R C 2.475 178.849 176.300 0.124 0.000 1.114 264 R CA 1.036 57.180 56.100 0.073 0.000 0.972 264 R CB -0.463 29.886 30.300 0.081 0.000 0.869 264 R HN 0.325 nan 8.270 nan 0.000 0.437 265 Y N 0.842 121.163 120.300 0.035 0.000 2.403 265 Y HA -0.159 4.391 4.550 -0.000 0.000 0.291 265 Y C 1.619 177.555 175.900 0.061 0.000 1.143 265 Y CA 1.023 59.155 58.100 0.053 0.000 1.257 265 Y CB -0.077 38.401 38.460 0.030 0.000 0.984 265 Y HN 0.157 nan 8.280 nan 0.000 0.550 266 L N -0.270 120.929 121.223 -0.039 0.000 2.179 266 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 266 L C 1.865 178.730 176.870 -0.009 0.000 1.096 266 L CA 1.383 56.172 54.840 -0.084 0.000 0.779 266 L CB -0.493 41.610 42.059 0.073 0.000 0.922 266 L HN 0.262 nan 8.230 nan 0.000 0.443 267 L N -1.147 120.100 121.223 0.041 0.000 2.549 267 L HA -0.135 4.205 4.340 -0.000 0.000 0.229 267 L C 2.087 178.996 176.870 0.066 0.000 1.158 267 L CA 0.768 55.659 54.840 0.085 0.000 0.842 267 L CB -0.952 41.134 42.059 0.045 0.000 0.952 267 L HN 0.250 nan 8.230 nan 0.000 0.452 268 T N -0.397 114.167 114.554 0.016 0.000 2.746 268 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 268 T C 0.967 175.730 174.700 0.104 0.000 1.039 268 T CA 1.008 63.148 62.100 0.067 0.000 1.142 268 T CB -0.191 68.725 68.868 0.081 0.000 0.866 268 T HN 0.104 nan 8.240 nan 0.000 0.444 269 M N 2.922 122.549 119.600 0.046 0.000 3.268 269 M HA 0.128 4.608 4.480 -0.000 0.000 0.249 269 M C 1.175 177.494 176.300 0.032 0.000 1.527 269 M CA -0.321 55.009 55.300 0.050 0.000 1.645 269 M CB -0.238 32.312 32.600 -0.084 0.000 1.193 269 M HN -0.026 nan 8.290 nan 0.000 0.534 270 D N 1.396 121.834 120.400 0.063 0.000 2.190 270 D HA -0.195 4.445 4.640 -0.000 0.000 0.200 270 D C 1.353 177.669 176.300 0.026 0.000 0.992 270 D CA 1.360 55.398 54.000 0.063 0.000 0.854 270 D CB 0.500 41.333 40.800 0.055 0.000 0.936 270 D HN 0.336 nan 8.370 nan 0.000 0.462 271 K N 0.361 120.756 120.400 -0.008 0.000 2.044 271 K HA -0.108 4.212 4.320 -0.000 0.000 0.210 271 K C 2.266 178.784 176.600 -0.137 0.000 1.049 271 K CA 0.518 56.777 56.287 -0.048 0.000 0.927 271 K CB -0.594 31.880 32.500 -0.042 0.000 0.713 271 K HN 0.206 nan 8.250 nan 0.000 0.443 272 L N -1.174 119.901 121.223 -0.248 0.000 2.010 272 L HA -0.207 4.133 4.340 -0.000 0.000 0.219 272 L C 0.455 176.876 176.870 -0.748 0.000 1.077 272 L CA 1.293 55.783 54.840 -0.583 0.000 0.773 272 L CB -0.309 41.285 42.059 -0.775 0.000 0.892 272 L HN 0.254 nan 8.230 nan 0.000 0.436 273 W N -1.225 120.065 121.300 -0.015 0.000 2.478 273 W HA 0.547 5.207 4.660 -0.000 0.000 0.318 273 W C 0.960 177.471 176.519 -0.015 0.000 1.062 273 W CA -0.660 56.675 57.345 -0.017 0.000 1.210 273 W CB 1.225 30.667 29.460 -0.030 0.000 1.325 273 W HN -0.138 nan 8.180 nan 0.000 0.496 274 R N 1.578 122.203 120.500 0.208 0.000 2.399 274 R HA -0.048 4.292 4.340 -0.000 0.000 0.084 274 R C 0.782 177.138 176.300 0.093 0.000 0.516 274 R CA 0.123 56.292 56.100 0.116 0.000 0.771 274 R CB -0.054 30.282 30.300 0.061 0.000 1.035 274 R HN 0.392 nan 8.270 nan 0.000 0.539 275 K N -0.457 120.020 120.400 0.128 0.000 2.590 275 K HA 0.353 4.672 4.320 -0.000 0.000 0.218 275 K C -0.371 176.312 176.600 0.137 0.000 1.536 275 K CA -0.026 56.320 56.287 0.098 0.000 1.013 275 K CB 0.785 33.323 32.500 0.063 0.000 1.265 275 K HN -0.131 nan 8.250 nan 0.000 0.603 276 R N 0.970 121.620 120.500 0.250 0.000 2.795 276 R HA 0.322 4.662 4.340 -0.000 0.000 0.275 276 R C -1.286 175.115 176.300 0.168 0.000 0.981 276 R CA -0.950 55.312 56.100 0.269 0.000 0.917 276 R CB 1.630 32.200 30.300 0.451 0.000 1.202 276 R HN -0.103 nan 8.270 nan 0.000 0.469 277 K N 4.004 124.390 120.400 -0.023 0.000 2.402 277 K HA 0.080 4.400 4.320 -0.000 0.000 0.279 277 K C -2.039 174.191 176.600 -0.617 0.000 1.082 277 K CA -0.721 55.434 56.287 -0.219 0.000 1.080 277 K CB 0.174 32.564 32.500 -0.184 0.000 0.899 277 K HN 0.235 nan 8.250 nan 0.000 0.469 278 P HA 0.152 nan 4.420 nan 0.000 0.274 278 P C -2.585 174.062 177.300 -1.088 0.000 1.237 278 P CA -1.420 60.839 63.100 -1.402 0.000 0.793 278 P CB 0.199 31.415 31.700 -0.806 0.000 0.977 279 P HA 0.047 nan 4.420 nan 0.000 0.269 279 P C -0.620 176.315 177.300 -0.608 0.000 1.209 279 P CA 0.136 62.585 63.100 -1.085 0.000 0.776 279 P CB 0.489 31.392 31.700 -1.328 0.000 0.876 280 V N 4.987 124.612 119.914 -0.481 0.000 2.357 280 V HA 0.268 4.388 4.120 -0.000 0.000 0.284 280 V C -2.038 173.952 176.094 -0.174 0.000 1.018 280 V CA -2.027 60.106 62.300 -0.277 0.000 0.841 280 V CB 1.112 32.792 31.823 -0.238 0.000 0.991 280 V HN 0.519 nan 8.190 nan 0.000 0.437 281 P HA 0.257 nan 4.420 nan 0.000 0.269 281 P C -0.811 176.529 177.300 0.066 0.000 1.217 281 P CA -0.026 63.073 63.100 -0.002 0.000 0.783 281 P CB 0.594 32.308 31.700 0.022 0.000 0.898 282 L N 1.379 122.694 121.223 0.154 0.000 2.365 282 L HA 0.468 4.808 4.340 -0.000 0.000 0.273 282 L C -0.141 176.962 176.870 0.388 0.000 1.000 282 L CA -0.687 54.300 54.840 0.245 0.000 0.819 282 L CB 2.065 44.290 42.059 0.277 0.000 1.284 282 L HN 0.309 nan 8.230 nan 0.000 0.418 283 D N 0.848 121.442 120.400 0.323 0.000 2.192 283 D HA 0.100 4.740 4.640 -0.000 0.000 0.246 283 D C 0.524 176.992 176.300 0.280 0.000 1.042 283 D CA -0.466 53.734 54.000 0.334 0.000 0.847 283 D CB 1.585 42.500 40.800 0.192 0.000 1.186 283 D HN 0.507 nan 8.370 nan 0.000 0.461 284 W N 4.395 125.743 121.300 0.080 0.000 2.317 284 W HA -0.293 4.367 4.660 -0.000 0.000 0.318 284 W C 1.345 177.775 176.519 -0.149 0.000 1.227 284 W CA 1.879 59.053 57.345 -0.284 0.000 1.269 284 W CB -0.384 28.939 29.460 -0.228 0.000 1.155 284 W HN 0.585 nan 8.180 nan 0.000 0.484 285 A N 0.625 123.481 122.820 0.060 0.000 1.902 285 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 285 A C 1.851 179.373 177.584 -0.103 0.000 1.181 285 A CA 1.970 53.990 52.037 -0.030 0.000 0.623 285 A CB -0.982 18.076 19.000 0.097 0.000 0.818 285 A HN 0.519 nan 8.150 nan 0.000 0.443 286 E N -0.407 119.765 120.200 -0.045 0.000 2.077 286 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 286 E C 2.000 178.535 176.600 -0.108 0.000 0.989 286 E CA 1.254 57.627 56.400 -0.046 0.000 0.800 286 E CB -0.283 29.424 29.700 0.011 0.000 0.746 286 E HN 0.403 nan 8.360 nan 0.000 0.452 287 V N 1.641 121.455 119.914 -0.168 0.000 2.343 287 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 287 V C 2.233 178.140 176.094 -0.311 0.000 1.051 287 V CA 1.565 63.728 62.300 -0.228 0.000 1.036 287 V CB -0.408 31.241 31.823 -0.290 0.000 0.654 287 V HN 0.241 nan 8.190 nan 0.000 0.451 288 Q N 0.180 119.711 119.800 -0.447 0.000 2.364 288 Q HA -0.101 4.239 4.340 -0.000 0.000 0.207 288 Q C 2.517 178.384 176.000 -0.221 0.000 0.970 288 Q CA 1.632 57.193 55.803 -0.403 0.000 0.888 288 Q CB -0.494 27.934 28.738 -0.515 0.000 0.951 288 Q HN 0.831 nan 8.270 nan 0.000 0.469 289 S N -0.612 114.988 115.700 -0.167 0.000 2.425 289 S HA -0.028 4.442 4.470 -0.000 0.000 0.225 289 S C 1.112 175.660 174.600 -0.087 0.000 1.024 289 S CA -0.138 58.001 58.200 -0.101 0.000 0.951 289 S CB 0.144 63.302 63.200 -0.069 0.000 0.796 289 S HN 0.118 nan 8.310 nan 0.000 0.498 306 G N -0.835 107.934 108.800 -0.052 0.000 2.240 306 G HA2 0.119 4.079 3.960 -0.000 0.000 0.199 306 G HA3 0.119 4.079 3.960 -0.000 0.000 0.199 306 G C -1.716 173.135 174.900 -0.082 0.000 1.342 306 G CA -0.472 44.582 45.100 -0.077 0.000 1.145 306 G HN 0.428 nan 8.290 nan 0.000 0.477 307 L N 1.248 122.394 121.223 -0.128 0.000 2.417 307 L HA 0.309 4.648 4.340 -0.000 0.000 0.268 307 L C 2.083 178.913 176.870 -0.066 0.000 1.158 307 L CA -0.082 54.695 54.840 -0.104 0.000 0.819 307 L CB 1.183 43.143 42.059 -0.164 0.000 1.112 307 L HN 0.825 nan 8.230 nan 0.000 0.458 308 K N 1.083 121.468 120.400 -0.025 0.000 2.113 308 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 308 K C 1.073 177.686 176.600 0.021 0.000 1.047 308 K CA 1.810 58.096 56.287 -0.003 0.000 0.928 308 K CB 0.134 32.639 32.500 0.008 0.000 0.716 308 K HN 0.616 nan 8.250 nan 0.000 0.446 309 D N 0.282 120.710 120.400 0.046 0.000 2.312 309 D HA -0.078 4.562 4.640 -0.000 0.000 0.211 309 D C 1.164 177.534 176.300 0.118 0.000 0.964 309 D CA 0.826 54.899 54.000 0.121 0.000 0.877 309 D CB 0.200 41.136 40.800 0.225 0.000 0.924 309 D HN 0.335 nan 8.370 nan 0.000 0.515 310 Q N -0.263 119.527 119.800 -0.017 0.000 2.403 310 Q HA 0.050 4.390 4.340 -0.000 0.000 0.203 310 Q C 0.107 176.112 176.000 0.008 0.000 0.932 310 Q CA 0.175 55.945 55.803 -0.055 0.000 0.945 310 Q CB 0.478 29.070 28.738 -0.243 0.000 1.045 310 Q HN 0.220 nan 8.270 nan 0.000 0.511 311 Q N 0.608 120.426 119.800 0.029 0.000 2.259 311 Q HA 0.256 4.596 4.340 -0.000 0.000 0.249 311 Q C -0.547 175.505 176.000 0.086 0.000 0.914 311 Q CA -0.206 55.618 55.803 0.035 0.000 0.904 311 Q CB 1.931 30.676 28.738 0.011 0.000 1.213 311 Q HN -0.040 nan 8.270 nan 0.000 0.428 312 V N 4.316 124.282 119.914 0.088 0.000 2.333 312 V HA 0.279 4.399 4.120 -0.000 0.000 0.274 312 V C 0.499 176.661 176.094 0.114 0.000 1.028 312 V CA -0.375 62.020 62.300 0.157 0.000 0.851 312 V CB 0.551 32.450 31.823 0.127 0.000 1.000 312 V HN 0.560 nan 8.190 nan 0.000 0.456 313 L N 3.731 125.008 121.223 0.090 0.000 2.479 313 L HA 0.473 4.813 4.340 -0.000 0.000 0.249 313 L C 0.466 177.298 176.870 -0.063 0.000 1.178 313 L CA -0.782 53.950 54.840 -0.179 0.000 0.811 313 L CB 0.555 42.219 42.059 -0.658 0.000 1.187 313 L HN 0.698 nan 8.230 nan 0.000 0.480 314 D N -0.892 119.421 120.400 -0.144 0.000 2.423 314 D HA 0.188 4.828 4.640 -0.000 0.000 0.255 314 D C 0.906 177.171 176.300 -0.058 0.000 1.174 314 D CA -0.718 53.240 54.000 -0.070 0.000 1.008 314 D CB 0.782 41.526 40.800 -0.093 0.000 1.101 314 D HN 0.142 nan 8.370 nan 0.000 0.516 315 V N 0.207 120.066 119.914 -0.092 0.000 2.250 315 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 315 V C 2.548 178.587 176.094 -0.092 0.000 1.060 315 V CA 2.584 64.815 62.300 -0.114 0.000 1.030 315 V CB -0.950 30.686 31.823 -0.312 0.000 0.643 315 V HN 0.740 nan 8.190 nan 0.000 0.445 316 K N 0.032 120.341 120.400 -0.151 0.000 2.044 316 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 316 K C 2.337 178.835 176.600 -0.169 0.000 1.049 316 K CA 2.115 58.287 56.287 -0.191 0.000 0.927 316 K CB -0.292 32.096 32.500 -0.187 0.000 0.713 316 K HN 0.477 nan 8.250 nan 0.000 0.443 317 S N -0.195 115.390 115.700 -0.193 0.000 2.368 317 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 317 S C 1.702 176.171 174.600 -0.219 0.000 1.030 317 S CA 1.346 59.397 58.200 -0.248 0.000 0.999 317 S CB -0.367 62.601 63.200 -0.385 0.000 0.844 317 S HN 0.393 nan 8.310 nan 0.000 0.459 318 Y N 1.152 121.442 120.300 -0.016 0.000 2.439 318 Y HA 0.048 4.598 4.550 -0.000 0.000 0.292 318 Y C 2.494 178.450 175.900 0.095 0.000 1.130 318 Y CA 0.411 58.530 58.100 0.031 0.000 1.254 318 Y CB -0.240 38.215 38.460 -0.009 0.000 1.000 318 Y HN 0.286 nan 8.280 nan 0.000 0.554 319 A N 0.351 123.270 122.820 0.165 0.000 1.929 319 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 319 A C 2.142 179.915 177.584 0.314 0.000 1.176 319 A CA 1.013 53.182 52.037 0.219 0.000 0.628 319 A CB -0.341 18.572 19.000 -0.145 0.000 0.816 319 A HN 0.343 nan 8.150 nan 0.000 0.444 320 R N -1.210 119.368 120.500 0.130 0.000 2.092 320 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 320 R C 2.003 178.443 176.300 0.232 0.000 1.119 320 R CA 1.215 57.417 56.100 0.170 0.000 0.970 320 R CB -0.394 29.928 30.300 0.037 0.000 0.864 320 R HN 0.462 nan 8.270 nan 0.000 0.440 321 L N 0.131 121.487 121.223 0.222 0.000 2.056 321 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 321 L C 1.923 178.994 176.870 0.335 0.000 1.078 321 L CA 1.482 56.465 54.840 0.239 0.000 0.749 321 L CB -0.535 41.671 42.059 0.246 0.000 0.901 321 L HN 0.021 nan 8.230 nan 0.000 0.433 322 F N -0.493 119.616 119.950 0.264 0.000 2.046 322 F HA -0.285 4.242 4.527 0.000 0.000 0.297 322 F C 2.869 178.882 175.800 0.356 0.000 1.123 322 F CA 2.004 60.191 58.000 0.311 0.000 1.199 322 F CB -0.895 38.337 39.000 0.386 0.000 0.972 322 F HN 0.188 nan 8.300 nan 0.000 0.474 323 S N -0.282 115.679 115.700 0.435 0.000 2.359 323 S HA -0.292 4.178 4.470 -0.000 0.000 0.224 323 S C 2.183 176.861 174.600 0.131 0.000 1.035 323 S CA 1.848 60.191 58.200 0.238 0.000 1.018 323 S CB -0.532 62.899 63.200 0.385 0.000 0.876 323 S HN 0.402 nan 8.310 nan 0.000 0.448 324 K N 1.611 122.109 120.400 0.163 0.000 2.002 324 K HA -0.066 4.254 4.320 -0.000 0.000 0.209 324 K C 2.331 178.972 176.600 0.068 0.000 1.048 324 K CA 2.318 58.669 56.287 0.107 0.000 0.930 324 K CB -0.906 31.659 32.500 0.110 0.000 0.714 324 K HN 0.515 nan 8.250 nan 0.000 0.438 325 S N 0.293 116.052 115.700 0.098 0.000 2.370 325 S HA -0.161 4.309 4.470 -0.000 0.000 0.226 325 S C 2.140 176.733 174.600 -0.012 0.000 1.033 325 S CA 1.480 59.725 58.200 0.075 0.000 1.011 325 S CB -0.772 62.556 63.200 0.212 0.000 0.852 325 S HN 0.353 nan 8.310 nan 0.000 0.457 326 I N 2.230 122.806 120.570 0.010 0.000 2.226 326 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 326 I C 2.858 178.948 176.117 -0.046 0.000 1.100 326 I CA 1.726 63.009 61.300 -0.029 0.000 1.374 326 I CB -0.527 37.456 38.000 -0.028 0.000 1.057 326 I HN 0.379 nan 8.210 nan 0.000 0.413 327 E N 0.284 120.478 120.200 -0.010 0.000 2.058 327 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 327 E C 2.139 178.727 176.600 -0.019 0.000 0.997 327 E CA 2.022 58.426 56.400 0.006 0.000 0.801 327 E CB -0.216 29.499 29.700 0.026 0.000 0.746 327 E HN 0.480 nan 8.360 nan 0.000 0.450 328 T N 1.435 115.955 114.554 -0.055 0.000 2.737 328 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 328 T C 1.997 176.586 174.700 -0.185 0.000 1.038 328 T CA 0.693 62.742 62.100 -0.085 0.000 1.144 328 T CB -0.199 68.595 68.868 -0.124 0.000 0.866 328 T HN 0.061 nan 8.240 nan 0.000 0.434 329 L N 1.332 122.351 121.223 -0.341 0.000 2.012 329 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 329 L C 2.931 179.588 176.870 -0.355 0.000 1.073 329 L CA 1.676 56.171 54.840 -0.575 0.000 0.748 329 L CB -0.614 40.725 42.059 -1.200 0.000 0.891 329 L HN 0.355 nan 8.230 nan 0.000 0.431 330 R N -0.283 120.109 120.500 -0.179 0.000 2.120 330 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 330 R C 1.921 178.252 176.300 0.053 0.000 1.123 330 R CA 1.468 57.561 56.100 -0.012 0.000 0.975 330 R CB -0.921 29.423 30.300 0.073 0.000 0.866 330 R HN 0.162 nan 8.270 nan 0.000 0.446 331 V N 1.267 121.214 119.914 0.055 0.000 2.323 331 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 331 V C 2.034 178.191 176.094 0.105 0.000 1.041 331 V CA 1.996 64.347 62.300 0.085 0.000 1.025 331 V CB -0.707 31.174 31.823 0.095 0.000 0.656 331 V HN 0.360 nan 8.190 nan 0.000 0.451 332 H N -0.521 118.514 119.070 -0.060 0.000 2.319 332 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 332 H C 1.918 177.224 175.328 -0.036 0.000 1.092 332 H CA 2.001 58.016 56.048 -0.056 0.000 1.302 332 H CB -0.433 29.276 29.762 -0.089 0.000 1.373 332 H HN 0.278 nan 8.280 nan 0.000 0.497 333 L N 0.220 121.501 121.223 0.098 0.000 2.083 333 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 333 L C 2.262 179.171 176.870 0.066 0.000 1.083 333 L CA 1.778 56.664 54.840 0.076 0.000 0.752 333 L CB -0.794 41.326 42.059 0.101 0.000 0.899 333 L HN 0.259 nan 8.230 nan 0.000 0.433 334 A N -1.065 121.795 122.820 0.067 0.000 1.968 334 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 334 A C 2.076 179.673 177.584 0.021 0.000 1.169 334 A CA 1.314 53.382 52.037 0.051 0.000 0.638 334 A CB -0.490 18.544 19.000 0.057 0.000 0.812 334 A HN 0.593 nan 8.150 nan 0.000 0.446 335 E N -0.284 119.918 120.200 0.003 0.000 2.482 335 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 335 E C 1.297 177.883 176.600 -0.024 0.000 1.047 335 E CA 0.470 56.855 56.400 -0.026 0.000 0.869 335 E CB 0.003 29.660 29.700 -0.072 0.000 0.836 335 E HN 0.515 nan 8.360 nan 0.000 0.520 336 K N 0.191 120.587 120.400 -0.006 0.000 2.393 336 K HA 0.107 4.427 4.320 -0.000 0.000 0.193 336 K C 0.483 177.085 176.600 0.004 0.000 1.026 336 K CA 0.354 56.640 56.287 -0.002 0.000 1.064 336 K CB 0.871 33.378 32.500 0.012 0.000 0.833 336 K HN 0.153 nan 8.250 nan 0.000 0.521 337 G N 2.818 111.622 108.800 0.007 0.000 2.612 337 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 337 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 337 G C -1.300 173.607 174.900 0.012 0.000 1.274 337 G CA -0.639 44.465 45.100 0.007 0.000 0.849 337 G HN 0.296 nan 8.290 nan 0.000 0.595 338 D N -0.197 120.208 120.400 0.008 0.000 2.399 338 D HA 0.493 5.133 4.640 -0.000 0.000 0.241 338 D C 1.564 177.868 176.300 0.007 0.000 1.133 338 D CA 1.071 55.075 54.000 0.007 0.000 0.890 338 D CB 0.704 41.505 40.800 0.001 0.000 1.201 338 D HN 2.238 nan 8.370 nan 0.000 0.432 339 G N 0.142 108.946 108.800 0.007 0.000 2.189 339 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.267 339 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.267 339 G C 0.525 175.431 174.900 0.011 0.000 0.975 339 G CA 0.590 45.693 45.100 0.005 0.000 0.644 339 G HN 1.107 nan 8.290 nan 0.000 0.537 340 A N -0.254 122.576 122.820 0.017 0.000 2.407 340 A HA 0.631 4.951 4.320 -0.000 0.000 0.248 340 A C 0.354 177.955 177.584 0.028 0.000 1.082 340 A CA 0.497 52.548 52.037 0.022 0.000 0.785 340 A CB 0.370 19.384 19.000 0.024 0.000 1.020 340 A HN 0.533 nan 8.150 nan 0.000 0.489 341 E N 0.609 120.829 120.200 0.033 0.000 2.266 341 E HA 0.520 4.870 4.350 -0.000 0.000 0.268 341 E C -1.308 175.328 176.600 0.060 0.000 0.879 341 E CA -0.565 55.859 56.400 0.039 0.000 0.762 341 E CB 2.007 31.729 29.700 0.037 0.000 1.199 341 E HN 0.584 nan 8.360 nan 0.000 0.422 342 L N 3.089 124.354 121.223 0.071 0.000 2.325 342 L HA 0.490 4.830 4.340 -0.000 0.000 0.279 342 L C -0.324 176.680 176.870 0.224 0.000 1.054 342 L CA -0.659 54.254 54.840 0.122 0.000 0.804 342 L CB 0.875 42.990 42.059 0.093 0.000 1.200 342 L HN 0.390 nan 8.230 nan 0.000 0.436 343 I N 1.365 122.073 120.570 0.230 0.000 2.339 343 I HA 0.126 4.296 4.170 -0.000 0.000 0.290 343 I C -0.583 175.712 176.117 0.297 0.000 0.994 343 I CA -0.485 60.974 61.300 0.264 0.000 1.191 343 I CB 1.220 39.309 38.000 0.148 0.000 1.343 343 I HN 0.600 nan 8.210 nan 0.000 0.458 344 W N 7.488 128.913 121.300 0.209 0.000 2.322 344 W HA 0.080 4.740 4.660 0.000 0.000 0.328 344 W C -0.109 176.339 176.519 -0.119 0.000 1.395 344 W CA 0.397 57.651 57.345 -0.152 0.000 1.267 344 W CB 0.386 29.667 29.460 -0.299 0.000 1.259 344 W HN 0.428 nan 8.180 nan 0.000 0.560 345 D N 4.825 124.638 120.400 -0.979 0.000 2.696 345 D HA 0.116 4.756 4.640 -0.000 0.000 0.251 345 D C 0.964 176.489 176.300 -1.292 0.000 1.188 345 D CA -0.587 52.917 54.000 -0.827 0.000 0.876 345 D CB 1.445 41.999 40.800 -0.409 0.000 1.334 345 D HN 0.518 nan 8.370 nan 0.000 0.540 346 K N 2.220 121.911 120.400 -1.181 0.000 2.218 346 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 346 K C 0.321 176.647 176.600 -0.458 0.000 1.046 346 K CA 1.237 57.019 56.287 -0.841 0.000 0.933 346 K CB 0.074 32.403 32.500 -0.285 0.000 0.728 346 K HN 0.274 nan 8.250 nan 0.000 0.454 347 D N 1.053 121.234 120.400 -0.364 0.000 2.355 347 D HA -0.044 4.596 4.640 -0.000 0.000 0.218 347 D C -0.373 175.797 176.300 -0.217 0.000 1.004 347 D CA 0.544 54.410 54.000 -0.223 0.000 0.880 347 D CB -0.080 40.627 40.800 -0.154 0.000 0.911 347 D HN 0.323 nan 8.370 nan 0.000 0.528 348 D N 0.439 120.651 120.400 -0.313 0.000 2.295 348 D HA 0.085 4.725 4.640 -0.000 0.000 0.248 348 D C -1.643 174.531 176.300 -0.210 0.000 1.154 348 D CA -1.956 51.895 54.000 -0.250 0.000 0.857 348 D CB 1.986 42.604 40.800 -0.303 0.000 1.117 348 D HN -0.203 nan 8.370 nan 0.000 0.468 349 P HA -0.167 nan 4.420 nan 0.000 0.213 349 P C 1.218 178.482 177.300 -0.059 0.000 1.170 349 P CA 1.214 64.271 63.100 -0.071 0.000 0.902 349 P CB 0.212 31.886 31.700 -0.044 0.000 0.789 350 S N -0.562 115.078 115.700 -0.099 0.000 2.359 350 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 350 S C 2.077 176.661 174.600 -0.026 0.000 1.035 350 S CA 1.537 59.688 58.200 -0.082 0.000 1.018 350 S CB -1.266 61.810 63.200 -0.207 0.000 0.876 350 S HN 0.156 nan 8.310 nan 0.000 0.448 351 A N 1.026 123.762 122.820 -0.140 0.000 1.908 351 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 351 A C 2.120 179.764 177.584 0.099 0.000 1.181 351 A CA 2.009 53.938 52.037 -0.179 0.000 0.627 351 A CB -0.585 18.016 19.000 -0.665 0.000 0.818 351 A HN 0.458 nan 8.150 nan 0.000 0.445 352 M N -0.228 119.370 119.600 -0.003 0.000 2.254 352 M HA -0.063 4.417 4.480 -0.000 0.000 0.265 352 M C 1.032 177.454 176.300 0.202 0.000 1.066 352 M CA 1.715 57.103 55.300 0.146 0.000 1.123 352 M CB -0.427 32.186 32.600 0.022 0.000 1.388 352 M HN 0.336 nan 8.290 nan 0.000 0.425 353 D N -0.739 119.762 120.400 0.168 0.000 2.117 353 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 353 D C 1.772 178.238 176.300 0.278 0.000 0.982 353 D CA 1.184 55.304 54.000 0.200 0.000 0.828 353 D CB -0.460 40.434 40.800 0.157 0.000 0.967 353 D HN 0.413 nan 8.370 nan 0.000 0.464 354 F N 1.364 121.429 119.950 0.191 0.000 2.075 354 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 354 F C 2.221 178.220 175.800 0.332 0.000 1.113 354 F CA 1.153 59.319 58.000 0.276 0.000 1.218 354 F CB -0.373 38.799 39.000 0.287 0.000 0.984 354 F HN -0.215 nan 8.300 nan 0.000 0.472 355 V N -0.229 119.900 119.914 0.359 0.000 2.343 355 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 355 V C 2.341 178.490 176.094 0.092 0.000 1.051 355 V CA 2.382 64.792 62.300 0.182 0.000 1.036 355 V CB -1.015 30.913 31.823 0.175 0.000 0.654 355 V HN 0.454 nan 8.190 nan 0.000 0.451 356 T N 0.316 114.949 114.554 0.133 0.000 2.674 356 T HA -0.191 4.159 4.350 -0.000 0.000 0.265 356 T C 2.132 176.838 174.700 0.009 0.000 1.039 356 T CA 2.087 64.234 62.100 0.078 0.000 1.150 356 T CB -0.320 68.638 68.868 0.149 0.000 0.864 356 T HN 0.748 nan 8.240 nan 0.000 0.427 357 S N 1.932 117.706 115.700 0.122 0.000 2.357 357 S HA 0.061 4.531 4.470 -0.000 0.000 0.221 357 S C 2.473 177.106 174.600 0.056 0.000 1.031 357 S CA 0.951 59.247 58.200 0.161 0.000 0.982 357 S CB -0.772 62.644 63.200 0.359 0.000 0.853 357 S HN 0.479 nan 8.310 nan 0.000 0.458 358 A N 2.506 125.372 122.820 0.078 0.000 1.883 358 A HA 0.195 4.515 4.320 -0.000 0.000 0.217 358 A C 2.572 180.310 177.584 0.257 0.000 1.186 358 A CA 2.094 54.237 52.037 0.176 0.000 0.624 358 A CB -1.617 17.402 19.000 0.031 0.000 0.822 358 A HN 0.900 nan 8.150 nan 0.000 0.444 359 A N 0.185 123.086 122.820 0.134 0.000 1.865 359 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 359 A C 1.950 179.519 177.584 -0.026 0.000 1.191 359 A CA 1.879 53.970 52.037 0.091 0.000 0.623 359 A CB -0.711 18.296 19.000 0.013 0.000 0.826 359 A HN 0.537 nan 8.150 nan 0.000 0.444 360 N N -0.082 118.520 118.700 -0.164 0.000 2.289 360 N HA -0.061 4.679 4.740 -0.000 0.000 0.184 360 N C 1.602 177.015 175.510 -0.162 0.000 1.016 360 N CA 1.040 53.924 53.050 -0.276 0.000 0.872 360 N CB -0.402 37.631 38.487 -0.756 0.000 0.973 360 N HN 0.532 nan 8.380 nan 0.000 0.433 361 L N 0.344 121.476 121.223 -0.151 0.000 2.109 361 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 361 L C 2.584 179.431 176.870 -0.038 0.000 1.086 361 L CA 0.754 55.465 54.840 -0.216 0.000 0.760 361 L CB -0.204 41.410 42.059 -0.741 0.000 0.910 361 L HN 0.118 nan 8.230 nan 0.000 0.437 362 R N 0.270 120.795 120.500 0.042 0.000 2.073 362 R HA -0.116 4.224 4.340 -0.000 0.000 0.229 362 R C 2.362 178.702 176.300 0.066 0.000 1.120 362 R CA 1.153 57.247 56.100 -0.009 0.000 0.967 362 R CB -0.137 29.944 30.300 -0.365 0.000 0.862 362 R HN 0.195 nan 8.270 nan 0.000 0.436 363 M N -0.301 119.303 119.600 0.008 0.000 2.082 363 M HA -0.253 4.227 4.480 -0.000 0.000 0.258 363 M C 2.285 178.638 176.300 0.088 0.000 1.069 363 M CA 2.154 57.470 55.300 0.027 0.000 1.102 363 M CB -0.554 32.036 32.600 -0.017 0.000 1.336 363 M HN 0.361 nan 8.290 nan 0.000 0.404 364 H N 0.499 119.559 119.070 -0.016 0.000 2.321 364 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 364 H C 1.719 177.028 175.328 -0.032 0.000 1.087 364 H CA 2.108 58.142 56.048 -0.023 0.000 1.319 364 H CB -0.228 29.512 29.762 -0.037 0.000 1.379 364 H HN 0.310 nan 8.280 nan 0.000 0.501 365 I N -0.495 120.066 120.570 -0.015 0.000 2.248 365 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 365 I C 0.751 176.634 176.117 -0.390 0.000 1.107 365 I CA 1.148 62.340 61.300 -0.179 0.000 1.373 365 I CB -0.216 37.742 38.000 -0.070 0.000 1.055 365 I HN 0.194 nan 8.210 nan 0.000 0.418 366 F N 0.904 120.721 119.950 -0.222 0.000 2.898 366 F HA 0.185 4.712 4.527 -0.000 0.000 0.290 366 F C 1.369 177.044 175.800 -0.208 0.000 1.195 366 F CA -0.231 57.631 58.000 -0.231 0.000 1.387 366 F CB -0.544 38.355 39.000 -0.168 0.000 0.976 366 F HN -0.113 nan 8.300 nan 0.000 0.510 367 S N -0.156 115.440 115.700 -0.173 0.000 3.350 367 S HA -0.280 4.190 4.470 -0.000 0.000 0.341 367 S C 0.491 175.056 174.600 -0.059 0.000 1.176 367 S CA 0.737 58.841 58.200 -0.159 0.000 0.972 367 S CB -1.576 61.532 63.200 -0.154 0.000 0.953 367 S HN 0.459 nan 8.310 nan 0.000 0.565 368 M N 1.138 120.731 119.600 -0.011 0.000 2.409 368 M HA 0.257 4.737 4.480 -0.000 0.000 0.329 368 M C 0.658 176.975 176.300 0.027 0.000 1.180 368 M CA -0.151 55.157 55.300 0.014 0.000 1.053 368 M CB 0.628 33.240 32.600 0.021 0.000 1.586 368 M HN 0.117 nan 8.290 nan 0.000 0.461 369 N N 1.686 120.402 118.700 0.026 0.000 2.520 369 N HA 0.256 4.996 4.740 -0.000 0.000 0.273 369 N C -0.700 174.826 175.510 0.027 0.000 1.155 369 N CA -0.191 52.883 53.050 0.040 0.000 0.967 369 N CB 0.860 39.365 38.487 0.031 0.000 1.092 369 N HN 0.454 nan 8.380 nan 0.000 0.457 370 M N 1.808 121.428 119.600 0.033 0.000 2.163 370 M HA 0.221 4.701 4.480 -0.000 0.000 0.305 370 M C 0.095 176.388 176.300 -0.013 0.000 1.166 370 M CA 0.308 55.594 55.300 -0.024 0.000 1.132 370 M CB 0.576 33.142 32.600 -0.058 0.000 1.413 370 M HN 0.261 nan 8.290 nan 0.000 0.478 371 K N 0.092 120.462 120.400 -0.050 0.000 2.340 371 K HA 0.444 4.764 4.320 -0.000 0.000 0.244 371 K C -0.501 176.121 176.600 0.036 0.000 0.973 371 K CA -0.829 55.462 56.287 0.006 0.000 0.828 371 K CB 1.926 34.428 32.500 0.004 0.000 1.226 371 K HN 0.806 nan 8.250 nan 0.000 0.437 372 S N 0.220 115.983 115.700 0.107 0.000 2.580 372 S HA 0.038 4.508 4.470 -0.000 0.000 0.266 372 S C 1.133 175.835 174.600 0.170 0.000 1.354 372 S CA -0.334 57.969 58.200 0.171 0.000 1.008 372 S CB 1.153 64.459 63.200 0.177 0.000 0.898 372 S HN 0.804 nan 8.310 nan 0.000 0.555 373 R N -0.045 120.584 120.500 0.215 0.000 2.120 373 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 373 R C 2.001 178.412 176.300 0.185 0.000 1.123 373 R CA 1.354 57.568 56.100 0.190 0.000 0.975 373 R CB -0.470 29.953 30.300 0.206 0.000 0.866 373 R HN 0.770 nan 8.270 nan 0.000 0.446 374 F N 1.658 121.648 119.950 0.066 0.000 2.126 374 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 374 F C 1.628 177.455 175.800 0.045 0.000 1.096 374 F CA 1.953 59.984 58.000 0.051 0.000 1.255 374 F CB -0.064 38.962 39.000 0.043 0.000 0.997 374 F HN 0.079 nan 8.300 nan 0.000 0.479 375 D N 0.315 120.844 120.400 0.214 0.000 2.123 375 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 375 D C 2.466 178.774 176.300 0.013 0.000 0.976 375 D CA 1.444 55.501 54.000 0.094 0.000 0.831 375 D CB -0.377 40.497 40.800 0.124 0.000 0.974 375 D HN 0.343 nan 8.370 nan 0.000 0.469 376 I N 0.974 121.562 120.570 0.031 0.000 2.286 376 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 376 I C 2.429 178.557 176.117 0.019 0.000 1.115 376 I CA 0.943 62.251 61.300 0.014 0.000 1.392 376 I CB -0.127 37.887 38.000 0.022 0.000 1.065 376 I HN -0.046 nan 8.210 nan 0.000 0.418 377 K N 0.772 121.174 120.400 0.004 0.000 2.057 377 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 377 K C 2.279 178.856 176.600 -0.038 0.000 1.049 377 K CA 1.675 57.961 56.287 -0.002 0.000 0.931 377 K CB 0.031 32.489 32.500 -0.071 0.000 0.714 377 K HN 0.135 nan 8.250 nan 0.000 0.440 378 S N 0.722 116.351 115.700 -0.119 0.000 2.356 378 S HA -0.117 4.353 4.470 -0.000 0.000 0.223 378 S C 1.882 176.466 174.600 -0.027 0.000 1.032 378 S CA 1.565 59.702 58.200 -0.105 0.000 1.005 378 S CB -0.129 62.988 63.200 -0.140 0.000 0.867 378 S HN 0.301 nan 8.310 nan 0.000 0.449 379 M N 0.922 120.511 119.600 -0.017 0.000 2.098 379 M HA -0.028 4.452 4.480 -0.000 0.000 0.262 379 M C 2.562 178.866 176.300 0.007 0.000 1.072 379 M CA 1.430 56.727 55.300 -0.005 0.000 1.133 379 M CB -0.594 31.992 32.600 -0.023 0.000 1.344 379 M HN 0.369 nan 8.290 nan 0.000 0.414 380 A N 0.348 123.176 122.820 0.012 0.000 1.908 380 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 380 A C 2.195 179.857 177.584 0.131 0.000 1.181 380 A CA 1.993 54.029 52.037 -0.002 0.000 0.627 380 A CB -1.331 17.680 19.000 0.019 0.000 0.818 380 A HN 0.597 nan 8.150 nan 0.000 0.445 381 G N -1.558 107.374 108.800 0.220 0.000 3.088 381 G HA2 0.269 4.229 3.960 -0.000 0.000 0.217 381 G HA3 0.269 4.229 3.960 -0.000 0.000 0.217 381 G C 0.251 175.225 174.900 0.124 0.000 1.159 381 G CA 0.303 45.554 45.100 0.252 0.000 0.760 381 G HN 0.563 nan 8.290 nan 0.000 0.550 382 N N -0.159 118.587 118.700 0.077 0.000 2.705 382 N HA -0.166 4.574 4.740 -0.000 0.000 0.255 382 N C -0.114 175.417 175.510 0.035 0.000 1.008 382 N CA 0.367 53.448 53.050 0.051 0.000 0.742 382 N CB -1.219 37.307 38.487 0.064 0.000 0.906 382 N HN 0.427 nan 8.380 nan 0.000 0.541 383 I N 0.762 121.338 120.570 0.010 0.000 2.556 383 I HA 0.054 4.224 4.170 -0.000 0.000 0.284 383 I C 0.658 176.768 176.117 -0.012 0.000 1.114 383 I CA -0.078 61.215 61.300 -0.012 0.000 1.418 383 I CB 0.413 38.380 38.000 -0.056 0.000 1.394 383 I HN 0.124 nan 8.210 nan 0.000 0.552 384 I N 8.016 128.584 120.570 -0.004 0.000 2.321 384 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 384 I C -1.921 174.188 176.117 -0.015 0.000 0.998 384 I CA -2.336 58.963 61.300 -0.001 0.000 1.227 384 I CB 0.556 38.563 38.000 0.012 0.000 1.368 384 I HN 0.256 nan 8.210 nan 0.000 0.466 385 P HA 0.291 nan 4.420 nan 0.000 0.266 385 P C -0.784 176.484 177.300 -0.055 0.000 1.195 385 P CA 0.012 63.090 63.100 -0.037 0.000 0.768 385 P CB 0.720 32.397 31.700 -0.039 0.000 0.838 386 A N 2.935 125.721 122.820 -0.057 0.000 2.488 386 A HA 0.737 5.057 4.320 -0.000 0.000 0.298 386 A C -0.676 176.870 177.584 -0.063 0.000 1.044 386 A CA -0.627 51.375 52.037 -0.059 0.000 0.693 386 A CB 0.985 19.971 19.000 -0.023 0.000 1.272 386 A HN 0.562 nan 8.150 nan 0.000 0.402 387 I N -1.188 119.334 120.570 -0.080 0.000 3.042 387 I HA 0.814 4.984 4.170 -0.000 0.000 0.310 387 I C 0.849 176.947 176.117 -0.032 0.000 1.117 387 I CA -0.827 60.435 61.300 -0.064 0.000 1.003 387 I CB 2.101 40.033 38.000 -0.113 0.000 1.228 387 I HN 0.607 nan 8.210 nan 0.000 0.443 388 A N 1.807 124.618 122.820 -0.015 0.000 1.873 388 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 388 A C 2.170 179.747 177.584 -0.013 0.000 1.186 388 A CA 2.476 54.510 52.037 -0.006 0.000 0.616 388 A CB -1.110 17.887 19.000 -0.006 0.000 0.823 388 A HN 0.945 nan 8.150 nan 0.000 0.442 389 T N -0.695 113.853 114.554 -0.011 0.000 2.699 389 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 389 T C 1.937 176.644 174.700 0.012 0.000 1.036 389 T CA 2.550 64.650 62.100 0.000 0.000 1.147 389 T CB -0.561 68.322 68.868 0.024 0.000 0.862 389 T HN 0.538 nan 8.240 nan 0.000 0.446 390 T N 2.109 116.671 114.554 0.014 0.000 2.777 390 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 390 T C 2.012 176.720 174.700 0.013 0.000 1.040 390 T CA 1.118 63.234 62.100 0.026 0.000 1.141 390 T CB -0.353 68.526 68.868 0.017 0.000 0.868 390 T HN 0.419 nan 8.240 nan 0.000 0.444 391 N N 1.336 120.038 118.700 0.003 0.000 2.244 391 N HA 0.002 4.742 4.740 -0.000 0.000 0.183 391 N C 2.154 177.664 175.510 -0.000 0.000 1.016 391 N CA 1.184 54.236 53.050 0.004 0.000 0.866 391 N CB -0.332 38.159 38.487 0.007 0.000 0.980 391 N HN 0.418 nan 8.380 nan 0.000 0.430 392 A N 0.904 123.718 122.820 -0.009 0.000 1.898 392 A HA -0.061 4.258 4.320 -0.000 0.000 0.216 392 A C 2.542 180.115 177.584 -0.018 0.000 1.181 392 A CA 1.104 53.127 52.037 -0.025 0.000 0.620 392 A CB -0.732 18.236 19.000 -0.052 0.000 0.819 392 A HN 0.082 nan 8.150 nan 0.000 0.442 393 V N 0.721 120.631 119.914 -0.007 0.000 2.287 393 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 393 V C 2.459 178.551 176.094 -0.003 0.000 1.053 393 V CA 1.890 64.189 62.300 -0.000 0.000 1.027 393 V CB -0.696 31.137 31.823 0.016 0.000 0.646 393 V HN 0.513 nan 8.190 nan 0.000 0.447 394 I N 0.697 121.266 120.570 -0.002 0.000 2.179 394 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 394 I C 2.740 178.846 176.117 -0.020 0.000 1.088 394 I CA 1.977 63.271 61.300 -0.010 0.000 1.357 394 I CB -1.791 36.205 38.000 -0.007 0.000 1.051 394 I HN 0.313 nan 8.210 nan 0.000 0.409 395 A N 0.979 123.788 122.820 -0.018 0.000 1.940 395 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 395 A C 2.503 180.071 177.584 -0.026 0.000 1.176 395 A CA 1.922 53.944 52.037 -0.024 0.000 0.631 395 A CB -1.312 17.681 19.000 -0.012 0.000 0.814 395 A HN 0.453 nan 8.150 nan 0.000 0.446 396 G N -0.311 108.477 108.800 -0.020 0.000 2.408 396 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.217 396 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.217 396 G C 1.524 176.415 174.900 -0.014 0.000 1.150 396 G CA 0.952 46.042 45.100 -0.016 0.000 0.776 396 G HN 0.446 nan 8.290 nan 0.000 0.542 397 L N 0.098 121.311 121.223 -0.016 0.000 2.093 397 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 397 L C 2.804 179.660 176.870 -0.024 0.000 1.085 397 L CA 0.417 55.247 54.840 -0.017 0.000 0.755 397 L CB -0.367 41.679 42.059 -0.021 0.000 0.904 397 L HN 0.173 nan 8.230 nan 0.000 0.435 398 I N -0.490 120.059 120.570 -0.035 0.000 2.151 398 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 398 I C 2.443 178.531 176.117 -0.049 0.000 1.080 398 I CA 1.354 62.625 61.300 -0.049 0.000 1.339 398 I CB -0.327 37.635 38.000 -0.063 0.000 1.039 398 I HN 0.035 nan 8.210 nan 0.000 0.409 399 V N 0.881 120.768 119.914 -0.045 0.000 2.490 399 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 399 V C 2.340 178.449 176.094 0.024 0.000 1.061 399 V CA 1.486 63.769 62.300 -0.029 0.000 1.064 399 V CB -0.512 31.307 31.823 -0.007 0.000 0.670 399 V HN 0.378 nan 8.190 nan 0.000 0.461 400 L N -0.428 120.804 121.223 0.016 0.000 2.083 400 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 400 L C 2.756 179.640 176.870 0.025 0.000 1.083 400 L CA 1.300 56.156 54.840 0.026 0.000 0.752 400 L CB -0.519 41.548 42.059 0.014 0.000 0.899 400 L HN 0.325 nan 8.230 nan 0.000 0.433 401 E N 0.057 120.262 120.200 0.008 0.000 2.072 401 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 401 E C 2.212 178.825 176.600 0.022 0.000 0.982 401 E CA 1.233 57.637 56.400 0.007 0.000 0.803 401 E CB -0.429 29.264 29.700 -0.012 0.000 0.755 401 E HN 0.483 nan 8.360 nan 0.000 0.453 402 G N 1.585 110.398 108.800 0.021 0.000 2.442 402 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 402 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 402 G C 1.746 176.717 174.900 0.117 0.000 1.141 402 G CA 0.544 45.674 45.100 0.050 0.000 0.763 402 G HN 0.165 nan 8.290 nan 0.000 0.554 403 L N -0.403 120.896 121.223 0.126 0.000 2.083 403 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 403 L C 2.961 179.876 176.870 0.075 0.000 1.083 403 L CA 1.376 56.291 54.840 0.124 0.000 0.752 403 L CB -0.276 41.842 42.059 0.100 0.000 0.899 403 L HN 0.188 nan 8.230 nan 0.000 0.433 404 K N 0.110 120.543 120.400 0.055 0.000 2.057 404 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 404 K C 1.997 178.621 176.600 0.040 0.000 1.050 404 K CA 1.083 57.394 56.287 0.039 0.000 0.935 404 K CB -0.070 32.447 32.500 0.028 0.000 0.715 404 K HN 0.174 nan 8.250 nan 0.000 0.439 405 I N 1.040 121.637 120.570 0.046 0.000 2.099 405 I HA -0.310 3.860 4.170 -0.000 0.000 0.239 405 I C 1.924 178.073 176.117 0.054 0.000 1.066 405 I CA 1.395 62.722 61.300 0.045 0.000 1.324 405 I CB -0.344 37.683 38.000 0.045 0.000 1.037 405 I HN 0.117 nan 8.210 nan 0.000 0.401 406 L N -0.192 121.078 121.223 0.077 0.000 2.450 406 L HA -0.144 4.196 4.340 -0.000 0.000 0.224 406 L C 2.319 179.217 176.870 0.046 0.000 1.149 406 L CA 0.792 55.677 54.840 0.075 0.000 0.816 406 L CB -0.556 41.572 42.059 0.115 0.000 0.932 406 L HN 0.245 nan 8.230 nan 0.000 0.449 407 S N -0.356 115.368 115.700 0.041 0.000 2.575 407 S HA 0.170 4.640 4.470 -0.000 0.000 0.215 407 S C 1.435 176.048 174.600 0.022 0.000 0.966 407 S CA 0.520 58.736 58.200 0.026 0.000 0.911 407 S CB -0.016 63.199 63.200 0.025 0.000 0.780 407 S HN 0.619 nan 8.310 nan 0.000 0.514 408 G N 1.587 110.402 108.800 0.025 0.000 2.143 408 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.248 408 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.248 408 G C 0.204 175.115 174.900 0.019 0.000 0.991 408 G CA 0.449 45.562 45.100 0.020 0.000 0.689 408 G HN 0.567 nan 8.290 nan 0.000 0.522 409 K N -0.207 120.205 120.400 0.021 0.000 2.832 409 K HA 0.456 4.776 4.320 -0.000 0.000 0.211 409 K C 1.692 178.303 176.600 0.018 0.000 1.112 409 K CA -0.492 55.806 56.287 0.018 0.000 1.108 409 K CB 0.404 32.915 32.500 0.018 0.000 0.899 409 K HN 0.387 nan 8.250 nan 0.000 0.464 410 I N 2.244 122.825 120.570 0.019 0.000 2.623 410 I HA -0.286 3.884 4.170 -0.000 0.000 0.261 410 I C 1.216 177.342 176.117 0.015 0.000 1.204 410 I CA 1.537 62.847 61.300 0.017 0.000 1.444 410 I CB 0.170 38.180 38.000 0.017 0.000 1.094 410 I HN 0.352 nan 8.210 nan 0.000 0.451 411 D N -0.244 120.165 120.400 0.015 0.000 2.363 411 D HA -0.181 4.459 4.640 -0.000 0.000 0.220 411 D C 1.442 177.751 176.300 0.015 0.000 0.994 411 D CA 0.482 54.491 54.000 0.014 0.000 0.890 411 D CB -0.167 40.641 40.800 0.014 0.000 0.906 411 D HN 0.549 nan 8.370 nan 0.000 0.530 412 Q N -0.221 119.588 119.800 0.015 0.000 2.282 412 Q HA 0.137 4.477 4.340 -0.000 0.000 0.206 412 Q C 0.434 176.442 176.000 0.013 0.000 0.878 412 Q CA -0.189 55.623 55.803 0.015 0.000 0.944 412 Q CB 0.971 29.718 28.738 0.015 0.000 1.100 412 Q HN 0.221 nan 8.270 nan 0.000 0.509 413 C N 2.157 121.464 119.300 0.012 0.000 2.656 413 C HA 0.381 4.841 4.460 -0.000 0.000 0.391 413 C C 0.709 175.702 174.990 0.005 0.000 1.300 413 C CA -0.213 58.810 59.018 0.007 0.000 2.302 413 C CB -0.073 27.671 27.740 0.006 0.000 2.655 413 C HN 0.475 nan 8.230 nan 0.000 0.656 414 R N 0.101 120.598 120.500 -0.005 0.000 2.741 414 R HA 0.490 4.830 4.340 -0.000 0.000 0.274 414 R C -1.631 174.644 176.300 -0.041 0.000 1.029 414 R CA -0.620 55.475 56.100 -0.008 0.000 0.880 414 R CB 0.533 30.836 30.300 0.005 0.000 1.264 414 R HN 0.491 nan 8.270 nan 0.000 0.465 415 T N 1.751 116.272 114.554 -0.056 0.000 2.806 415 T HA 0.502 4.852 4.350 -0.000 0.000 0.290 415 T C 0.069 174.643 174.700 -0.209 0.000 0.966 415 T CA -0.283 61.715 62.100 -0.170 0.000 1.060 415 T CB 0.375 69.126 68.868 -0.194 0.000 0.927 415 T HN 0.262 nan 8.240 nan 0.000 0.485 416 I N 3.362 123.754 120.570 -0.297 0.000 2.436 416 I HA 0.434 4.604 4.170 -0.000 0.000 0.289 416 I C -0.919 175.007 176.117 -0.318 0.000 1.010 416 I CA -0.810 60.376 61.300 -0.191 0.000 1.098 416 I CB 1.492 39.443 38.000 -0.081 0.000 1.266 416 I HN 0.508 nan 8.210 nan 0.000 0.434 417 F N 6.157 126.120 119.950 0.023 0.000 2.436 417 F HA 0.452 4.979 4.527 0.000 0.000 0.340 417 F C -0.190 175.625 175.800 0.025 0.000 1.113 417 F CA -0.829 57.186 58.000 0.025 0.000 1.022 417 F CB 1.684 40.697 39.000 0.022 0.000 1.128 417 F HN 0.242 nan 8.300 nan 0.000 0.466 418 L N 5.461 126.802 121.223 0.198 0.000 2.276 418 L HA 0.505 4.845 4.340 -0.000 0.000 0.286 418 L C -0.781 176.173 176.870 0.139 0.000 1.024 418 L CA -0.301 54.618 54.840 0.132 0.000 0.826 418 L CB -0.026 42.088 42.059 0.092 0.000 1.211 418 L HN 0.465 nan 8.230 nan 0.000 0.422 419 N N 3.412 122.177 118.700 0.108 0.000 2.485 419 N HA 0.274 5.014 4.740 -0.000 0.000 0.280 419 N C 0.345 175.885 175.510 0.050 0.000 1.205 419 N CA -0.505 52.591 53.050 0.077 0.000 0.959 419 N CB 1.559 40.073 38.487 0.045 0.000 1.206 419 N HN 0.585 nan 8.380 nan 0.000 0.545 420 K N -0.355 120.058 120.400 0.021 0.000 2.186 420 K HA 0.041 4.361 4.320 -0.000 0.000 0.202 420 K C -0.245 176.312 176.600 -0.072 0.000 1.052 420 K CA 1.042 57.299 56.287 -0.050 0.000 0.965 420 K CB 0.351 32.788 32.500 -0.104 0.000 0.746 420 K HN 0.436 nan 8.250 nan 0.000 0.457 421 Q N 0.543 120.318 119.800 -0.041 0.000 2.413 421 Q HA 0.374 4.714 4.340 -0.000 0.000 0.276 421 Q C -2.644 173.344 176.000 -0.020 0.000 1.099 421 Q CA -2.629 53.150 55.803 -0.040 0.000 0.814 421 Q CB 1.358 30.071 28.738 -0.042 0.000 1.379 421 Q HN -0.042 nan 8.270 nan 0.000 0.436 422 P HA -0.002 nan 4.420 nan 0.000 0.268 422 P C -0.285 177.009 177.300 -0.010 0.000 1.205 422 P CA -0.088 63.007 63.100 -0.008 0.000 0.771 422 P CB 0.467 32.162 31.700 -0.008 0.000 0.858 423 N N 4.659 123.355 118.700 -0.006 0.000 2.364 423 N HA 0.135 4.875 4.740 -0.000 0.000 0.264 423 N C -1.583 173.921 175.510 -0.011 0.000 1.263 423 N CA -1.805 51.237 53.050 -0.012 0.000 0.959 423 N CB -1.246 37.233 38.487 -0.013 0.000 1.204 423 N HN 0.177 nan 8.380 nan 0.000 0.550 424 P HA -0.169 nan 4.420 nan 0.000 0.218 424 P C 0.318 177.614 177.300 -0.007 0.000 1.146 424 P CA 1.531 64.625 63.100 -0.011 0.000 0.813 424 P CB 0.135 31.827 31.700 -0.013 0.000 0.778 425 R N -0.275 120.222 120.500 -0.004 0.000 2.335 425 R HA 0.148 4.488 4.340 -0.000 0.000 0.223 425 R C 0.540 176.841 176.300 0.002 0.000 0.940 425 R CA -0.081 56.019 56.100 -0.001 0.000 1.086 425 R CB -0.243 30.058 30.300 0.002 0.000 1.073 425 R HN 0.041 nan 8.270 nan 0.000 0.504 426 K N -0.127 120.272 120.400 -0.000 0.000 3.391 426 K HA -0.180 4.140 4.320 -0.000 0.000 0.307 426 K C -0.834 175.769 176.600 0.005 0.000 1.304 426 K CA 1.026 57.313 56.287 0.001 0.000 0.904 426 K CB -0.899 31.601 32.500 0.001 0.000 1.293 426 K HN 0.154 nan 8.250 nan 0.000 0.470 427 K N 0.808 121.213 120.400 0.009 0.000 2.234 427 K HA 0.201 4.521 4.320 -0.000 0.000 0.277 427 K C 0.709 177.321 176.600 0.021 0.000 1.038 427 K CA -0.441 55.856 56.287 0.018 0.000 0.888 427 K CB 1.239 33.754 32.500 0.025 0.000 1.091 427 K HN -0.032 nan 8.250 nan 0.000 0.467 428 L N 4.021 125.258 121.223 0.024 0.000 2.253 428 L HA 0.185 4.525 4.340 -0.000 0.000 0.205 428 L C -0.030 176.870 176.870 0.050 0.000 1.078 428 L CA 1.089 55.946 54.840 0.028 0.000 0.805 428 L CB 0.437 42.507 42.059 0.019 0.000 0.963 428 L HN 0.494 nan 8.230 nan 0.000 0.459 429 L N 0.722 121.976 121.223 0.051 0.000 2.298 429 L HA 0.410 4.750 4.340 -0.000 0.000 0.284 429 L C -1.161 175.757 176.870 0.079 0.000 1.013 429 L CA -0.669 54.211 54.840 0.067 0.000 0.824 429 L CB 1.790 43.876 42.059 0.046 0.000 1.221 429 L HN -0.329 nan 8.230 nan 0.000 0.418 430 V N 5.442 125.434 119.914 0.129 0.000 2.328 430 V HA 0.365 4.485 4.120 -0.000 0.000 0.278 430 V C -2.085 174.113 176.094 0.173 0.000 1.021 430 V CA -1.470 60.918 62.300 0.146 0.000 0.838 430 V CB 1.439 33.362 31.823 0.167 0.000 0.999 430 V HN 0.567 nan 8.190 nan 0.000 0.447 431 P HA 0.434 nan 4.420 nan 0.000 0.296 431 P C -0.993 176.367 177.300 0.099 0.000 1.306 431 P CA -0.346 62.801 63.100 0.079 0.000 0.818 431 P CB 1.469 33.196 31.700 0.045 0.000 0.969 432 C N 2.459 121.822 119.300 0.106 0.000 2.563 432 C HA 0.728 5.188 4.460 -0.000 0.000 0.314 432 C C 0.861 175.893 174.990 0.070 0.000 1.199 432 C CA -0.491 58.595 59.018 0.113 0.000 1.564 432 C CB 1.407 29.269 27.740 0.204 0.000 2.173 432 C HN 0.691 nan 8.230 nan 0.000 0.485 433 A N 2.531 125.386 122.820 0.059 0.000 2.466 433 A HA 0.504 4.824 4.320 -0.000 0.000 0.238 433 A C -0.115 177.497 177.584 0.047 0.000 1.074 433 A CA -0.012 52.051 52.037 0.044 0.000 0.774 433 A CB 0.102 19.125 19.000 0.039 0.000 1.015 433 A HN 0.868 nan 8.150 nan 0.000 0.498 434 L N 1.578 122.822 121.223 0.036 0.000 2.417 434 L HA 0.216 4.556 4.340 -0.000 0.000 0.268 434 L C -0.173 176.724 176.870 0.044 0.000 1.158 434 L CA -0.442 54.421 54.840 0.037 0.000 0.819 434 L CB 0.404 42.478 42.059 0.025 0.000 1.112 434 L HN 0.622 nan 8.230 nan 0.000 0.458 435 D N 2.864 123.298 120.400 0.056 0.000 2.193 435 D HA 0.344 4.984 4.640 -0.000 0.000 0.249 435 D C -2.221 174.104 176.300 0.042 0.000 1.034 435 D CA -1.204 52.832 54.000 0.060 0.000 0.902 435 D CB 1.460 42.318 40.800 0.097 0.000 1.182 435 D HN 0.254 nan 8.370 nan 0.000 0.436 436 P HA 0.200 nan 4.420 nan 0.000 0.272 436 P C -2.664 174.640 177.300 0.007 0.000 1.240 436 P CA -1.269 61.843 63.100 0.019 0.000 0.791 436 P CB -0.376 31.335 31.700 0.019 0.000 0.978 437 P HA 0.008 nan 4.420 nan 0.000 0.264 437 P C -0.005 177.275 177.300 -0.033 0.000 1.183 437 P CA 0.500 63.583 63.100 -0.028 0.000 0.763 437 P CB -0.050 31.634 31.700 -0.026 0.000 0.807 438 N N 5.000 123.658 118.700 -0.070 0.000 2.406 438 N HA 0.101 4.841 4.740 -0.000 0.000 0.251 438 N C -1.420 174.063 175.510 -0.045 0.000 1.069 438 N CA -2.400 50.608 53.050 -0.071 0.000 0.947 438 N CB 0.225 38.604 38.487 -0.181 0.000 1.111 438 N HN 0.209 nan 8.380 nan 0.000 0.497 439 P HA -0.109 nan 4.420 nan 0.000 0.223 439 P C 0.005 177.307 177.300 0.003 0.000 1.144 439 P CA 1.015 64.111 63.100 -0.006 0.000 0.783 439 P CB 0.414 32.117 31.700 0.003 0.000 0.771 440 N N -0.776 117.928 118.700 0.006 0.000 2.412 440 N HA -0.023 4.717 4.740 -0.000 0.000 0.184 440 N C 0.695 176.231 175.510 0.044 0.000 1.101 440 N CA 0.057 53.124 53.050 0.028 0.000 0.881 440 N CB -0.569 37.941 38.487 0.038 0.000 0.969 440 N HN 0.188 nan 8.380 nan 0.000 0.459 441 C N 2.511 121.816 119.300 0.008 0.000 2.596 441 C HA -0.076 4.384 4.460 -0.000 0.000 0.414 441 C C 1.880 176.914 174.990 0.073 0.000 1.396 441 C CA -0.433 58.598 59.018 0.021 0.000 1.698 441 C CB -1.261 26.435 27.740 -0.073 0.000 2.572 441 C HN 0.603 nan 8.230 nan 0.000 0.604 442 Y N 4.345 124.646 120.300 0.002 0.000 2.471 442 Y HA 0.355 4.905 4.550 -0.000 0.000 0.286 442 Y C 0.986 176.936 175.900 0.084 0.000 1.188 442 Y CA 0.404 58.521 58.100 0.029 0.000 1.286 442 Y CB -0.231 38.251 38.460 0.036 0.000 1.072 442 Y HN 0.393 nan 8.280 nan 0.000 0.517 443 V N -0.370 119.257 119.914 -0.479 0.000 2.950 443 V HA -0.101 4.019 4.120 -0.000 0.000 0.231 443 V C 2.075 178.004 176.094 -0.275 0.000 1.205 443 V CA 0.888 62.847 62.300 -0.568 0.000 1.239 443 V CB 0.108 31.454 31.823 -0.796 0.000 1.050 443 V HN 0.660 nan 8.190 nan 0.000 0.498 444 C N 1.174 120.351 119.300 -0.205 0.000 2.697 444 C HA 0.719 5.179 4.460 -0.000 0.000 0.267 444 C C 1.280 176.229 174.990 -0.067 0.000 1.278 444 C CA -0.749 58.193 59.018 -0.126 0.000 1.708 444 C CB -1.585 26.084 27.740 -0.117 0.000 1.860 444 C HN 0.362 nan 8.230 nan 0.000 0.589 445 A N 1.158 123.949 122.820 -0.049 0.000 2.386 445 A HA 0.458 4.778 4.320 -0.000 0.000 0.248 445 A C 1.645 179.222 177.584 -0.012 0.000 1.082 445 A CA 0.704 52.728 52.037 -0.022 0.000 0.789 445 A CB 0.136 19.132 19.000 -0.006 0.000 1.025 445 A HN 0.493 nan 8.150 nan 0.000 0.490 446 S N 0.046 115.741 115.700 -0.009 0.000 2.372 446 S HA -0.147 4.323 4.470 -0.000 0.000 0.227 446 S C 0.806 175.402 174.600 -0.007 0.000 1.044 446 S CA 2.088 60.284 58.200 -0.007 0.000 1.050 446 S CB -0.280 62.916 63.200 -0.006 0.000 0.901 446 S HN 0.571 nan 8.310 nan 0.000 0.447 447 K N 1.562 121.957 120.400 -0.008 0.000 2.687 447 K HA 0.449 4.769 4.320 -0.000 0.000 0.197 447 K C -3.010 173.580 176.600 -0.018 0.000 1.049 447 K CA -2.082 54.194 56.287 -0.017 0.000 1.030 447 K CB 1.431 33.920 32.500 -0.019 0.000 1.261 447 K HN 0.144 nan 8.250 nan 0.000 0.565 448 P HA -0.056 nan 4.420 nan 0.000 0.260 448 P C -0.939 176.337 177.300 -0.041 0.000 1.172 448 P CA 0.278 63.378 63.100 -0.000 0.000 0.760 448 P CB 0.481 32.201 31.700 0.033 0.000 0.773 449 E N 2.023 122.217 120.200 -0.010 0.000 2.321 449 E HA 0.554 4.904 4.350 -0.000 0.000 0.281 449 E C -1.998 174.594 176.600 -0.013 0.000 0.910 449 E CA -0.834 55.545 56.400 -0.035 0.000 0.770 449 E CB 1.811 31.496 29.700 -0.025 0.000 1.225 449 E HN 0.175 nan 8.360 nan 0.000 0.417 450 V N 2.708 122.592 119.914 -0.051 0.000 3.078 450 V HA 0.677 4.797 4.120 -0.000 0.000 0.311 450 V C -1.299 174.798 176.094 0.004 0.000 1.138 450 V CA -0.240 62.047 62.300 -0.022 0.000 1.007 450 V CB 2.625 34.395 31.823 -0.089 0.000 1.045 450 V HN 0.797 nan 8.190 nan 0.000 0.432 451 T N 3.971 118.552 114.554 0.045 0.000 2.815 451 T HA 0.588 4.938 4.350 -0.000 0.000 0.289 451 T C -0.815 173.942 174.700 0.096 0.000 1.000 451 T CA -0.248 61.884 62.100 0.053 0.000 0.958 451 T CB 1.312 70.203 68.868 0.038 0.000 0.944 451 T HN 0.507 nan 8.240 nan 0.000 0.442 452 V N 3.950 123.930 119.914 0.110 0.000 2.483 452 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 452 V C 0.289 176.455 176.094 0.120 0.000 1.035 452 V CA -0.962 61.431 62.300 0.155 0.000 0.896 452 V CB 1.709 33.640 31.823 0.181 0.000 0.986 452 V HN 0.690 nan 8.190 nan 0.000 0.447 453 R N 5.863 126.441 120.500 0.130 0.000 2.338 453 R HA 0.823 5.163 4.340 -0.000 0.000 0.317 453 R C -1.177 175.197 176.300 0.125 0.000 0.968 453 R CA -0.350 55.806 56.100 0.093 0.000 0.849 453 R CB 0.938 31.269 30.300 0.052 0.000 1.128 453 R HN 0.816 nan 8.270 nan 0.000 0.448 454 L N 0.794 122.086 121.223 0.115 0.000 2.838 454 L HA 0.490 4.830 4.340 -0.000 0.000 0.266 454 L C -1.736 175.226 176.870 0.153 0.000 1.040 454 L CA -1.237 53.683 54.840 0.133 0.000 0.906 454 L CB 1.932 44.085 42.059 0.157 0.000 1.501 454 L HN 0.493 nan 8.230 nan 0.000 0.407 455 N N 0.998 119.788 118.700 0.150 0.000 2.439 455 N HA 0.226 4.966 4.740 -0.000 0.000 0.243 455 N C 0.629 176.187 175.510 0.079 0.000 1.088 455 N CA -0.159 53.018 53.050 0.211 0.000 0.940 455 N CB 1.539 40.127 38.487 0.169 0.000 1.180 455 N HN 0.611 nan 8.380 nan 0.000 0.505 456 V N 3.403 123.261 119.914 -0.092 0.000 3.186 456 V HA -0.159 3.961 4.120 -0.000 0.000 0.270 456 V C 0.986 176.909 176.094 -0.285 0.000 1.149 456 V CA 1.483 63.614 62.300 -0.282 0.000 1.160 456 V CB -1.079 30.455 31.823 -0.481 0.000 0.758 456 V HN 0.702 nan 8.190 nan 0.000 0.516 457 H N -1.072 117.977 119.070 -0.036 0.000 2.648 457 H HA 0.208 4.764 4.556 -0.000 0.000 0.265 457 H C 1.987 177.329 175.328 0.024 0.000 0.961 457 H CA 0.253 56.293 56.048 -0.013 0.000 1.185 457 H CB 0.463 30.221 29.762 -0.007 0.000 1.449 457 H HN 0.304 nan 8.280 nan 0.000 0.523 458 K N 0.380 120.858 120.400 0.131 0.000 2.399 458 K HA 0.167 4.487 4.320 -0.000 0.000 0.196 458 K C -0.133 176.512 176.600 0.074 0.000 1.103 458 K CA 0.115 56.463 56.287 0.101 0.000 0.986 458 K CB 1.442 34.003 32.500 0.102 0.000 0.952 458 K HN -0.073 nan 8.250 nan 0.000 0.541 459 V N 3.548 123.499 119.914 0.061 0.000 2.488 459 V HA 0.049 4.169 4.120 -0.000 0.000 0.277 459 V C 0.604 176.717 176.094 0.031 0.000 1.046 459 V CA -0.365 61.962 62.300 0.045 0.000 0.986 459 V CB 0.990 32.834 31.823 0.035 0.000 0.989 459 V HN 0.334 nan 8.190 nan 0.000 0.475 460 T N 1.898 116.469 114.554 0.028 0.000 2.881 460 T HA 0.378 4.728 4.350 -0.000 0.000 0.278 460 T C 1.135 175.830 174.700 -0.007 0.000 0.982 460 T CA -0.622 61.494 62.100 0.027 0.000 0.989 460 T CB 1.543 70.438 68.868 0.044 0.000 1.058 460 T HN 0.151 nan 8.240 nan 0.000 0.529 461 V N 1.239 121.143 119.914 -0.017 0.000 2.515 461 V HA -0.070 4.050 4.120 -0.000 0.000 0.250 461 V C 2.428 178.492 176.094 -0.050 0.000 1.058 461 V CA 1.604 63.855 62.300 -0.082 0.000 1.064 461 V CB -1.091 30.654 31.823 -0.130 0.000 0.675 461 V HN 0.833 nan 8.190 nan 0.000 0.461 462 L N -0.372 120.848 121.223 -0.006 0.000 2.056 462 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 462 L C 2.473 179.334 176.870 -0.015 0.000 1.078 462 L CA 2.116 56.957 54.840 0.002 0.000 0.749 462 L CB -0.468 41.609 42.059 0.030 0.000 0.901 462 L HN 0.302 nan 8.230 nan 0.000 0.433 463 T N 0.290 114.836 114.554 -0.014 0.000 2.777 463 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 463 T C 1.737 176.386 174.700 -0.086 0.000 1.040 463 T CA 1.621 63.705 62.100 -0.026 0.000 1.141 463 T CB -0.301 68.566 68.868 -0.000 0.000 0.868 463 T HN 0.314 nan 8.240 nan 0.000 0.444 464 L N 1.187 122.352 121.223 -0.097 0.000 2.083 464 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 464 L C 2.464 179.266 176.870 -0.113 0.000 1.083 464 L CA 1.826 56.583 54.840 -0.139 0.000 0.752 464 L CB -0.729 41.258 42.059 -0.120 0.000 0.899 464 L HN 0.249 nan 8.230 nan 0.000 0.433 465 Q N -1.088 118.666 119.800 -0.076 0.000 2.020 465 Q HA -0.177 4.163 4.340 -0.000 0.000 0.198 465 Q C 1.577 177.556 176.000 -0.036 0.000 0.974 465 Q CA 1.889 57.663 55.803 -0.048 0.000 0.829 465 Q CB -0.001 28.717 28.738 -0.033 0.000 0.894 465 Q HN 0.546 nan 8.270 nan 0.000 0.433 466 D N 0.045 120.425 120.400 -0.033 0.000 2.149 466 D HA -0.042 4.598 4.640 -0.000 0.000 0.206 466 D C 1.660 177.942 176.300 -0.030 0.000 0.967 466 D CA 1.000 54.990 54.000 -0.018 0.000 0.848 466 D CB 0.090 40.889 40.800 -0.002 0.000 0.998 466 D HN 0.204 nan 8.370 nan 0.000 0.474 467 K N -0.081 120.285 120.400 -0.056 0.000 2.243 467 K HA 0.157 4.477 4.320 -0.000 0.000 0.201 467 K C 2.022 178.498 176.600 -0.206 0.000 1.051 467 K CA 0.373 56.629 56.287 -0.052 0.000 0.970 467 K CB 0.686 33.206 32.500 0.033 0.000 0.755 467 K HN 0.140 nan 8.250 nan 0.000 0.465 468 I N -0.351 119.997 120.570 -0.370 0.000 2.900 468 I HA -0.133 4.037 4.170 -0.000 0.000 0.251 468 I C 2.068 178.021 176.117 -0.273 0.000 1.102 468 I CA 0.360 61.297 61.300 -0.605 0.000 1.457 468 I CB -0.035 37.502 38.000 -0.772 0.000 1.285 468 I HN -0.188 nan 8.210 nan 0.000 0.459 469 V N 1.314 121.197 119.914 -0.051 0.000 2.307 469 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 469 V C 2.369 178.545 176.094 0.135 0.000 1.045 469 V CA 1.884 64.270 62.300 0.143 0.000 1.024 469 V CB -0.657 31.207 31.823 0.069 0.000 0.651 469 V HN 0.317 nan 8.190 nan 0.000 0.449 470 K N -0.191 120.240 120.400 0.053 0.000 2.005 470 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 470 K C 2.278 178.917 176.600 0.064 0.000 1.044 470 K CA 1.473 57.799 56.287 0.066 0.000 0.942 470 K CB -0.145 32.378 32.500 0.037 0.000 0.727 470 K HN 0.476 nan 8.250 nan 0.000 0.439 471 E N 1.099 121.312 120.200 0.021 0.000 2.008 471 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 471 E C 2.026 178.630 176.600 0.007 0.000 0.986 471 E CA 1.345 57.760 56.400 0.026 0.000 0.807 471 E CB 0.110 29.824 29.700 0.023 0.000 0.766 471 E HN -0.061 nan 8.360 nan 0.000 0.450 472 K N 0.131 120.472 120.400 -0.097 0.000 2.026 472 K HA -0.104 4.216 4.320 -0.000 0.000 0.208 472 K C 1.352 177.824 176.600 -0.213 0.000 1.048 472 K CA 1.580 57.727 56.287 -0.234 0.000 0.929 472 K CB -0.325 31.879 32.500 -0.492 0.000 0.713 472 K HN 0.201 nan 8.250 nan 0.000 0.439 473 F N 0.095 120.118 119.950 0.121 0.000 2.660 473 F HA 0.340 4.867 4.527 -0.000 0.000 0.302 473 F C 0.677 176.637 175.800 0.266 0.000 1.103 473 F CA -0.121 58.029 58.000 0.250 0.000 1.340 473 F CB 0.221 39.368 39.000 0.246 0.000 1.048 473 F HN 0.080 nan 8.300 nan 0.000 0.551 474 A N 0.928 123.929 122.820 0.302 0.000 2.704 474 A HA -0.286 4.034 4.320 -0.000 0.000 0.299 474 A C 0.372 178.090 177.584 0.223 0.000 1.507 474 A CA 0.660 52.832 52.037 0.225 0.000 0.776 474 A CB -2.093 17.038 19.000 0.218 0.000 1.027 474 A HN 0.479 nan 8.150 nan 0.000 0.475 475 M N -0.644 119.091 119.600 0.225 0.000 2.277 475 M HA 0.355 4.835 4.480 -0.000 0.000 0.350 475 M C 1.656 178.027 176.300 0.118 0.000 1.180 475 M CA 0.264 55.681 55.300 0.195 0.000 1.103 475 M CB 1.459 34.165 32.600 0.176 0.000 1.577 475 M HN 0.693 nan 8.290 nan 0.000 0.459 476 V N 0.219 120.191 119.914 0.097 0.000 2.436 476 V HA 0.365 4.485 4.120 -0.000 0.000 0.240 476 V C 0.681 176.797 176.094 0.037 0.000 1.040 476 V CA 0.764 63.082 62.300 0.030 0.000 1.052 476 V CB -0.309 31.481 31.823 -0.056 0.000 0.707 476 V HN 0.808 nan 8.190 nan 0.000 0.469 477 A N 2.955 125.810 122.820 0.058 0.000 2.763 477 A HA 0.751 5.071 4.320 -0.000 0.000 0.325 477 A C -2.744 174.875 177.584 0.058 0.000 1.209 477 A CA -1.383 50.689 52.037 0.058 0.000 0.764 477 A CB 0.266 19.309 19.000 0.073 0.000 1.120 477 A HN 0.472 nan 8.150 nan 0.000 0.463 478 P HA 0.384 nan 4.420 nan 0.000 0.281 478 P C -1.208 176.096 177.300 0.006 0.000 1.249 478 P CA -0.031 63.069 63.100 -0.001 0.000 0.810 478 P CB 1.598 33.296 31.700 -0.003 0.000 1.008 479 D N 1.494 121.876 120.400 -0.031 0.000 2.469 479 D HA 0.303 4.943 4.640 -0.000 0.000 0.251 479 D C -0.742 175.527 176.300 -0.052 0.000 1.173 479 D CA -0.218 53.792 54.000 0.017 0.000 0.882 479 D CB 1.863 42.759 40.800 0.161 0.000 1.129 479 D HN 0.019 nan 8.370 nan 0.000 0.549 480 V N 3.539 123.424 119.914 -0.049 0.000 2.417 480 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 480 V C 0.086 176.139 176.094 -0.068 0.000 1.024 480 V CA -0.719 61.535 62.300 -0.077 0.000 0.861 480 V CB 1.756 33.524 31.823 -0.091 0.000 0.985 480 V HN 0.431 nan 8.190 nan 0.000 0.436 481 Q N 4.365 124.128 119.800 -0.062 0.000 2.413 481 Q HA 0.764 5.104 4.340 -0.000 0.000 0.276 481 Q C -1.202 174.767 176.000 -0.051 0.000 1.099 481 Q CA -0.936 54.839 55.803 -0.046 0.000 0.814 481 Q CB 2.689 31.419 28.738 -0.013 0.000 1.379 481 Q HN 0.592 nan 8.270 nan 0.000 0.436 482 I N 1.159 121.706 120.570 -0.038 0.000 2.581 482 I HA 0.103 4.273 4.170 -0.000 0.000 0.288 482 I C 0.273 176.382 176.117 -0.014 0.000 1.047 482 I CA -0.282 61.001 61.300 -0.027 0.000 1.374 482 I CB 1.120 39.117 38.000 -0.004 0.000 1.423 482 I HN 0.752 nan 8.210 nan 0.000 0.549 483 E N 5.213 125.404 120.200 -0.016 0.000 1.932 483 E HA 0.062 4.412 4.350 -0.000 0.000 0.259 483 E C -1.099 175.500 176.600 -0.001 0.000 1.099 483 E CA -0.305 56.089 56.400 -0.011 0.000 0.970 483 E CB 0.176 29.865 29.700 -0.018 0.000 1.143 483 E HN 0.590 nan 8.360 nan 0.000 0.441 484 D N 1.010 121.414 120.400 0.006 0.000 3.224 484 D HA 0.249 4.889 4.640 -0.000 0.000 0.268 484 D C 1.155 177.462 176.300 0.012 0.000 1.310 484 D CA -0.324 53.682 54.000 0.011 0.000 1.035 484 D CB -0.490 40.322 40.800 0.020 0.000 1.293 484 D HN 0.171 nan 8.370 nan 0.000 0.630 485 G N -0.207 108.602 108.800 0.014 0.000 2.605 485 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 485 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 485 G C 1.118 176.027 174.900 0.015 0.000 1.279 485 G CA 1.224 46.332 45.100 0.013 0.000 0.831 485 G HN 0.654 nan 8.290 nan 0.000 0.560 486 K N 0.501 120.913 120.400 0.019 0.000 2.574 486 K HA 0.261 4.581 4.320 -0.000 0.000 0.193 486 K C 1.219 177.833 176.600 0.023 0.000 1.035 486 K CA 0.697 56.997 56.287 0.021 0.000 0.982 486 K CB -0.283 32.232 32.500 0.025 0.000 0.795 486 K HN 0.683 nan 8.250 nan 0.000 0.491 487 G N 1.752 110.565 108.800 0.022 0.000 2.324 487 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.292 487 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.292 487 G C -0.168 174.748 174.900 0.027 0.000 1.079 487 G CA 0.194 45.306 45.100 0.020 0.000 1.026 487 G HN 0.374 nan 8.290 nan 0.000 0.506 488 T N 0.328 114.905 114.554 0.039 0.000 2.819 488 T HA 0.150 4.500 4.350 -0.000 0.000 0.282 488 T C 1.185 175.903 174.700 0.029 0.000 1.013 488 T CA 0.586 62.722 62.100 0.060 0.000 1.159 488 T CB 0.649 69.579 68.868 0.104 0.000 1.007 488 T HN 0.412 nan 8.240 nan 0.000 0.514 489 I N 4.421 125.012 120.570 0.036 0.000 2.304 489 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 489 I C 1.116 177.208 176.117 -0.042 0.000 1.018 489 I CA -0.371 60.931 61.300 0.003 0.000 1.260 489 I CB 1.157 39.171 38.000 0.024 0.000 1.390 489 I HN 0.633 nan 8.210 nan 0.000 0.475 490 L N 6.720 127.865 121.223 -0.130 0.000 2.221 490 L HA 0.282 4.622 4.340 -0.000 0.000 0.202 490 L C 0.370 177.142 176.870 -0.164 0.000 1.074 490 L CA 0.937 55.612 54.840 -0.276 0.000 0.795 490 L CB 0.249 42.092 42.059 -0.360 0.000 0.960 490 L HN 0.465 nan 8.230 nan 0.000 0.458 491 I N -1.471 119.043 120.570 -0.094 0.000 2.582 491 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 491 I C -0.529 175.585 176.117 -0.006 0.000 1.066 491 I CA -0.260 61.011 61.300 -0.048 0.000 1.053 491 I CB 2.315 40.282 38.000 -0.054 0.000 1.241 491 I HN -0.186 nan 8.210 nan 0.000 0.421 492 S N 2.038 117.746 115.700 0.014 0.000 2.536 492 S HA 0.416 4.886 4.470 -0.000 0.000 0.298 492 S C 0.651 175.278 174.600 0.046 0.000 1.083 492 S CA -0.460 57.764 58.200 0.040 0.000 0.995 492 S CB 1.899 65.120 63.200 0.036 0.000 1.058 492 S HN 0.619 nan 8.310 nan 0.000 0.488 493 S N 1.976 117.719 115.700 0.073 0.000 2.395 493 S HA 0.037 4.506 4.470 -0.000 0.000 0.225 493 S C 0.150 174.779 174.600 0.048 0.000 1.027 493 S CA 0.592 58.836 58.200 0.073 0.000 0.965 493 S CB -0.251 63.021 63.200 0.121 0.000 0.812 493 S HN 0.776 nan 8.310 nan 0.000 0.482 494 E N 2.507 122.731 120.200 0.040 0.000 2.406 494 E HA 0.047 4.397 4.350 -0.000 0.000 0.258 494 E C -0.557 176.056 176.600 0.022 0.000 1.043 494 E CA -0.085 56.330 56.400 0.024 0.000 0.929 494 E CB 0.197 29.907 29.700 0.017 0.000 0.969 494 E HN 0.354 nan 8.360 nan 0.000 0.462 495 E N 1.513 121.724 120.200 0.017 0.000 2.502 495 E HA 0.127 4.477 4.350 -0.000 0.000 0.261 495 E C 0.721 177.330 176.600 0.015 0.000 0.974 495 E CA 0.721 57.130 56.400 0.015 0.000 0.936 495 E CB 0.214 29.921 29.700 0.011 0.000 0.926 495 E HN 0.690 nan 8.360 nan 0.000 0.459 496 G N 2.264 111.074 108.800 0.016 0.000 2.415 496 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.283 496 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.283 496 G C 0.227 175.139 174.900 0.020 0.000 1.014 496 G CA 0.174 45.285 45.100 0.017 0.000 1.323 496 G HN 0.481 nan 8.290 nan 0.000 0.502 497 E N -1.196 119.019 120.200 0.026 0.000 3.001 497 E HA 0.020 4.370 4.350 -0.000 0.000 0.211 497 E C 1.995 178.619 176.600 0.040 0.000 1.026 497 E CA 1.202 57.620 56.400 0.030 0.000 1.614 497 E CB 0.045 29.761 29.700 0.027 0.000 1.672 497 E HN 0.821 nan 8.360 nan 0.000 0.869 498 T N -0.416 114.162 114.554 0.040 0.000 3.182 498 T HA 0.191 4.541 4.350 -0.000 0.000 0.277 498 T C 0.947 175.685 174.700 0.063 0.000 1.013 498 T CA -0.242 61.889 62.100 0.052 0.000 0.900 498 T CB 0.398 69.282 68.868 0.027 0.000 1.098 498 T HN -0.144 nan 8.240 nan 0.000 0.543 499 E N 2.178 122.410 120.200 0.054 0.000 2.171 499 E HA -0.152 4.197 4.350 -0.000 0.000 0.197 499 E C 2.255 178.906 176.600 0.085 0.000 0.997 499 E CA 1.505 57.938 56.400 0.054 0.000 0.810 499 E CB -0.538 29.182 29.700 0.034 0.000 0.738 499 E HN 0.753 nan 8.360 nan 0.000 0.467 500 A N 1.914 124.796 122.820 0.104 0.000 1.929 500 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 500 A C 1.809 179.555 177.584 0.269 0.000 1.176 500 A CA 1.054 53.185 52.037 0.157 0.000 0.628 500 A CB -0.270 18.807 19.000 0.128 0.000 0.816 500 A HN 0.124 nan 8.150 nan 0.000 0.444 501 N N 0.594 119.435 118.700 0.236 0.000 2.512 501 N HA -0.091 4.649 4.740 -0.000 0.000 0.183 501 N C 1.034 176.678 175.510 0.224 0.000 1.073 501 N CA 0.920 54.156 53.050 0.310 0.000 0.911 501 N CB -0.583 38.084 38.487 0.301 0.000 0.964 501 N HN 0.511 nan 8.380 nan 0.000 0.447 502 N N 0.849 119.667 118.700 0.197 0.000 2.094 502 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 502 N C 1.405 177.029 175.510 0.189 0.000 1.023 502 N CA 1.285 54.426 53.050 0.151 0.000 0.857 502 N CB -0.281 38.276 38.487 0.117 0.000 1.013 502 N HN 0.569 nan 8.380 nan 0.000 0.426 503 H N -0.847 118.263 119.070 0.067 0.000 2.539 503 H HA 0.276 4.832 4.556 -0.000 0.000 0.269 503 H C -0.422 174.957 175.328 0.085 0.000 0.980 503 H CA 0.067 56.152 56.048 0.061 0.000 1.152 503 H CB -0.167 29.622 29.762 0.045 0.000 1.407 503 H HN 0.017 nan 8.280 nan 0.000 0.564 504 K N 1.965 122.231 120.400 -0.224 0.000 2.234 504 K HA 0.171 4.491 4.320 -0.000 0.000 0.282 504 K C -0.021 176.629 176.600 0.082 0.000 1.039 504 K CA -0.692 55.509 56.287 -0.143 0.000 0.928 504 K CB 1.337 33.850 32.500 0.020 0.000 1.039 504 K HN -0.062 nan 8.250 nan 0.000 0.470 505 K N 2.115 122.544 120.400 0.049 0.000 2.414 505 K HA -0.017 4.303 4.320 -0.000 0.000 0.272 505 K C 1.235 177.940 176.600 0.174 0.000 0.993 505 K CA 0.216 56.555 56.287 0.088 0.000 0.964 505 K CB 0.242 32.787 32.500 0.075 0.000 0.925 505 K HN 0.477 nan 8.250 nan 0.000 0.487 506 L N 0.938 122.228 121.223 0.111 0.000 2.042 506 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 506 L C 2.115 179.088 176.870 0.173 0.000 1.076 506 L CA 1.820 56.729 54.840 0.115 0.000 0.749 506 L CB -0.717 41.340 42.059 -0.004 0.000 0.893 506 L HN 0.803 nan 8.230 nan 0.000 0.432 507 S N -0.363 115.383 115.700 0.076 0.000 2.400 507 S HA -0.238 4.232 4.470 -0.000 0.000 0.232 507 S C 1.615 176.266 174.600 0.085 0.000 1.025 507 S CA 1.315 59.550 58.200 0.059 0.000 0.993 507 S CB -0.536 62.732 63.200 0.113 0.000 0.808 507 S HN 0.505 nan 8.310 nan 0.000 0.478 508 E N 0.178 120.423 120.200 0.075 0.000 2.396 508 E HA -0.067 4.283 4.350 -0.000 0.000 0.200 508 E C 0.442 176.867 176.600 -0.292 0.000 1.023 508 E CA 0.937 57.266 56.400 -0.118 0.000 0.857 508 E CB -0.278 29.291 29.700 -0.218 0.000 0.775 508 E HN 0.731 nan 8.360 nan 0.000 0.525 509 F N -0.973 118.961 119.950 -0.025 0.000 2.678 509 F HA 0.298 4.825 4.527 0.000 0.000 0.305 509 F C 1.476 177.264 175.800 -0.020 0.000 1.090 509 F CA 0.287 58.274 58.000 -0.022 0.000 1.272 509 F CB 1.173 40.159 39.000 -0.024 0.000 1.060 509 F HN -0.009 nan 8.300 nan 0.000 0.576 510 G N 1.067 109.930 108.800 0.105 0.000 2.141 510 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.242 510 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.242 510 G C 0.232 175.161 174.900 0.047 0.000 0.982 510 G CA -0.355 44.780 45.100 0.058 0.000 0.662 510 G HN 0.273 nan 8.290 nan 0.000 0.527 511 I N 1.770 122.375 120.570 0.058 0.000 2.471 511 I HA 0.444 4.614 4.170 -0.000 0.000 0.286 511 I C 1.116 177.202 176.117 -0.051 0.000 1.079 511 I CA -0.051 61.255 61.300 0.008 0.000 1.398 511 I CB 0.473 38.475 38.000 0.003 0.000 1.403 511 I HN 0.473 nan 8.210 nan 0.000 0.530 512 R N 3.416 123.887 120.500 -0.049 0.000 2.870 512 R HA 0.395 4.735 4.340 -0.000 0.000 0.262 512 R C -0.839 175.451 176.300 -0.017 0.000 1.112 512 R CA -1.142 54.909 56.100 -0.081 0.000 0.976 512 R CB 0.455 30.724 30.300 -0.052 0.000 1.261 512 R HN 0.333 nan 8.270 nan 0.000 0.453 513 N N -0.626 118.092 118.700 0.029 0.000 2.359 513 N HA 0.172 4.912 4.740 -0.000 0.000 0.261 513 N C 0.894 176.426 175.510 0.037 0.000 1.267 513 N CA 2.429 55.522 53.050 0.071 0.000 0.864 513 N CB 0.408 38.959 38.487 0.107 0.000 1.063 513 N HN 0.864 nan 8.380 nan 0.000 0.474 514 G N 1.224 110.042 108.800 0.030 0.000 2.213 514 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.236 514 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.236 514 G C 0.187 175.093 174.900 0.010 0.000 0.991 514 G CA 0.214 45.325 45.100 0.019 0.000 0.629 514 G HN 0.682 nan 8.290 nan 0.000 0.517 515 S N 0.326 116.030 115.700 0.007 0.000 2.572 515 S HA 0.528 4.997 4.470 -0.000 0.000 0.279 515 S C 0.527 175.123 174.600 -0.006 0.000 1.341 515 S CA 0.064 58.263 58.200 -0.001 0.000 1.043 515 S CB 1.220 64.416 63.200 -0.006 0.000 0.887 515 S HN 0.561 nan 8.310 nan 0.000 0.516 516 R N 1.922 122.414 120.500 -0.013 0.000 2.534 516 R HA 0.573 4.913 4.340 -0.000 0.000 0.301 516 R C -1.461 174.819 176.300 -0.035 0.000 0.961 516 R CA -0.518 55.568 56.100 -0.023 0.000 0.871 516 R CB 0.690 30.977 30.300 -0.022 0.000 1.170 516 R HN 0.553 nan 8.270 nan 0.000 0.446 517 L N 3.115 124.308 121.223 -0.049 0.000 2.362 517 L HA 0.451 4.791 4.340 -0.000 0.000 0.271 517 L C -0.496 176.321 176.870 -0.088 0.000 1.002 517 L CA -0.826 53.974 54.840 -0.065 0.000 0.818 517 L CB 2.141 44.158 42.059 -0.070 0.000 1.298 517 L HN 0.541 nan 8.230 nan 0.000 0.420 518 Q N 2.316 122.060 119.800 -0.092 0.000 2.372 518 Q HA 0.657 4.997 4.340 -0.000 0.000 0.259 518 Q C -1.065 174.845 176.000 -0.150 0.000 0.993 518 Q CA -0.549 55.181 55.803 -0.122 0.000 0.854 518 Q CB 1.844 30.524 28.738 -0.097 0.000 1.231 518 Q HN 0.755 nan 8.270 nan 0.000 0.462 519 A N 4.540 127.236 122.820 -0.206 0.000 2.276 519 A HA 0.517 4.837 4.320 -0.000 0.000 0.316 519 A C -0.984 176.403 177.584 -0.330 0.000 1.229 519 A CA -0.529 51.373 52.037 -0.226 0.000 0.851 519 A CB 0.853 19.729 19.000 -0.207 0.000 1.165 519 A HN 0.816 nan 8.150 nan 0.000 0.513 520 D N 1.225 121.418 120.400 -0.346 0.000 2.619 520 D HA 0.341 4.981 4.640 -0.000 0.000 0.241 520 D C -1.606 174.393 176.300 -0.502 0.000 1.087 520 D CA -0.108 53.567 54.000 -0.541 0.000 0.851 520 D CB 2.332 42.624 40.800 -0.847 0.000 1.474 520 D HN 0.574 nan 8.370 nan 0.000 0.478 521 D N 2.431 122.576 120.400 -0.426 0.000 2.420 521 D HA 0.122 4.762 4.640 -0.000 0.000 0.255 521 D C 0.410 176.602 176.300 -0.179 0.000 1.185 521 D CA -0.524 53.365 54.000 -0.185 0.000 0.904 521 D CB 0.419 41.241 40.800 0.037 0.000 1.102 521 D HN 0.213 nan 8.370 nan 0.000 0.534 522 F N 1.895 121.874 119.950 0.048 0.000 2.293 522 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 522 F C 2.108 177.945 175.800 0.062 0.000 1.086 522 F CA 0.256 58.282 58.000 0.044 0.000 1.375 522 F CB 0.069 39.087 39.000 0.029 0.000 1.045 522 F HN 0.360 nan 8.300 nan 0.000 0.516 523 L N 0.484 121.845 121.223 0.230 0.000 2.005 523 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 523 L C 2.039 178.996 176.870 0.146 0.000 1.072 523 L CA 1.918 56.875 54.840 0.195 0.000 0.744 523 L CB -0.845 41.342 42.059 0.214 0.000 0.895 523 L HN 0.137 nan 8.230 nan 0.000 0.433 524 Q N -0.721 119.155 119.800 0.126 0.000 2.482 524 Q HA -0.070 4.270 4.340 -0.000 0.000 0.209 524 Q C 0.007 176.023 176.000 0.027 0.000 0.961 524 Q CA 0.600 56.416 55.803 0.023 0.000 0.945 524 Q CB -0.157 28.611 28.738 0.050 0.000 1.012 524 Q HN 0.558 nan 8.270 nan 0.000 0.515 525 D N -0.185 120.257 120.400 0.071 0.000 2.697 525 D HA -0.246 4.394 4.640 -0.000 0.000 0.238 525 D C -1.595 174.753 176.300 0.080 0.000 1.152 525 D CA 0.514 54.555 54.000 0.067 0.000 0.666 525 D CB -0.985 39.849 40.800 0.057 0.000 1.037 525 D HN 0.336 nan 8.370 nan 0.000 0.423 526 Y N 0.298 120.526 120.300 -0.120 0.000 2.391 526 Y HA 0.598 5.148 4.550 0.000 0.000 0.341 526 Y C -0.793 174.999 175.900 -0.181 0.000 0.965 526 Y CA -0.925 57.092 58.100 -0.139 0.000 1.067 526 Y CB 1.834 40.217 38.460 -0.127 0.000 1.199 526 Y HN -0.024 nan 8.280 nan 0.000 0.450 527 T N 8.015 122.324 114.554 -0.409 0.000 2.809 527 T HA 0.494 4.844 4.350 -0.000 0.000 0.284 527 T C -1.662 172.660 174.700 -0.630 0.000 0.992 527 T CA -0.441 61.363 62.100 -0.494 0.000 0.957 527 T CB 0.903 69.621 68.868 -0.250 0.000 0.942 527 T HN 0.546 nan 8.240 nan 0.000 0.439 528 L N 4.596 125.413 121.223 -0.678 0.000 2.356 528 L HA 0.621 4.961 4.340 -0.000 0.000 0.277 528 L C -1.211 175.464 176.870 -0.325 0.000 0.996 528 L CA -0.709 53.811 54.840 -0.532 0.000 0.822 528 L CB 1.100 42.759 42.059 -0.666 0.000 1.256 528 L HN 0.604 nan 8.230 nan 0.000 0.413 529 L N 6.326 127.415 121.223 -0.223 0.000 2.290 529 L HA 0.450 4.790 4.340 -0.000 0.000 0.284 529 L C -0.489 176.293 176.870 -0.147 0.000 1.078 529 L CA -0.169 54.579 54.840 -0.154 0.000 0.815 529 L CB 0.921 42.918 42.059 -0.102 0.000 1.162 529 L HN 0.542 nan 8.230 nan 0.000 0.435 530 I N 3.799 124.295 120.570 -0.124 0.000 2.354 530 I HA 0.257 4.427 4.170 -0.000 0.000 0.286 530 I C -0.364 175.727 176.117 -0.043 0.000 1.007 530 I CA -0.572 60.674 61.300 -0.090 0.000 1.167 530 I CB 1.185 39.138 38.000 -0.079 0.000 1.320 530 I HN 0.559 nan 8.210 nan 0.000 0.458 531 N N 7.049 125.737 118.700 -0.021 0.000 2.444 531 N HA 0.396 5.136 4.740 -0.000 0.000 0.271 531 N C -0.513 175.007 175.510 0.016 0.000 1.069 531 N CA -0.362 52.686 53.050 -0.004 0.000 0.965 531 N CB 2.080 40.568 38.487 0.002 0.000 1.092 531 N HN 0.367 nan 8.380 nan 0.000 0.476 532 I N 2.727 123.306 120.570 0.015 0.000 2.392 532 I HA 0.360 4.530 4.170 -0.000 0.000 0.295 532 I C 0.246 176.388 176.117 0.041 0.000 0.985 532 I CA -0.473 60.844 61.300 0.029 0.000 1.221 532 I CB 1.116 39.126 38.000 0.015 0.000 1.366 532 I HN 0.240 nan 8.210 nan 0.000 0.467 533 L N 5.619 126.876 121.223 0.057 0.000 2.343 533 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 533 L C -0.474 176.451 176.870 0.092 0.000 0.996 533 L CA -0.805 54.071 54.840 0.060 0.000 0.831 533 L CB 1.573 43.657 42.059 0.041 0.000 1.232 533 L HN 0.529 nan 8.230 nan 0.000 0.413 534 H N 2.861 121.923 119.070 -0.013 0.000 2.742 534 H HA 0.397 4.953 4.556 -0.000 0.000 0.302 534 H C -0.724 174.598 175.328 -0.011 0.000 1.069 534 H CA 0.107 56.137 56.048 -0.030 0.000 1.446 534 H CB 1.224 30.950 29.762 -0.060 0.000 1.462 534 H HN 0.473 nan 8.280 nan 0.000 0.499 535 S N 3.469 118.989 115.700 -0.299 0.000 2.575 535 S HA 0.246 4.716 4.470 -0.000 0.000 0.278 535 S C 0.268 174.722 174.600 -0.243 0.000 1.139 535 S CA -0.687 57.325 58.200 -0.312 0.000 0.954 535 S CB 1.121 64.255 63.200 -0.110 0.000 1.054 535 S HN 0.870 nan 8.310 nan 0.000 0.483 536 E N 2.393 122.452 120.200 -0.234 0.000 2.307 536 E HA 0.082 4.432 4.350 -0.000 0.000 0.195 536 E C -0.489 176.093 176.600 -0.030 0.000 0.975 536 E CA 0.296 56.656 56.400 -0.067 0.000 0.878 536 E CB 0.253 29.936 29.700 -0.028 0.000 0.845 536 E HN 0.602 nan 8.360 nan 0.000 0.488 537 D N 0.553 120.923 120.400 -0.050 0.000 2.973 537 D HA 0.165 4.805 4.640 -0.000 0.000 0.263 537 D C 0.773 177.054 176.300 -0.032 0.000 1.266 537 D CA 0.008 53.990 54.000 -0.031 0.000 0.975 537 D CB 0.298 41.080 40.800 -0.031 0.000 1.032 537 D HN 0.014 nan 8.370 nan 0.000 0.510 538 L N 0.091 121.299 121.223 -0.025 0.000 1.993 538 L HA 0.238 4.578 4.340 -0.000 0.000 0.206 538 L C 1.331 178.180 176.870 -0.034 0.000 1.074 538 L CA 0.877 55.700 54.840 -0.029 0.000 0.746 538 L CB -0.192 41.855 42.059 -0.020 0.000 0.896 538 L HN 0.405 nan 8.230 nan 0.000 0.435 539 G N -1.441 107.342 108.800 -0.029 0.000 2.352 539 G HA2 0.023 3.983 3.960 -0.000 0.000 0.302 539 G HA3 0.023 3.983 3.960 -0.000 0.000 0.302 539 G C -1.509 173.374 174.900 -0.029 0.000 1.370 539 G CA -0.885 44.196 45.100 -0.032 0.000 0.918 539 G HN -0.224 nan 8.290 nan 0.000 0.610 540 K N 1.626 122.008 120.400 -0.029 0.000 2.436 540 K HA 0.173 4.493 4.320 -0.000 0.000 0.282 540 K C 0.138 176.721 176.600 -0.029 0.000 1.044 540 K CA 0.802 57.074 56.287 -0.026 0.000 1.028 540 K CB 0.187 32.671 32.500 -0.027 0.000 0.919 540 K HN 0.675 nan 8.250 nan 0.000 0.474 541 D N 0.729 121.117 120.400 -0.020 0.000 2.811 541 D HA -0.166 4.474 4.640 -0.000 0.000 0.231 541 D C -0.519 175.760 176.300 -0.035 0.000 1.157 541 D CA 0.540 54.530 54.000 -0.016 0.000 0.716 541 D CB -1.428 39.366 40.800 -0.011 0.000 1.077 541 D HN 0.095 nan 8.370 nan 0.000 0.428 542 V N 0.643 120.531 119.914 -0.042 0.000 2.304 542 V HA 0.095 4.215 4.120 -0.000 0.000 0.278 542 V C 1.327 177.396 176.094 -0.042 0.000 1.018 542 V CA -0.482 61.769 62.300 -0.081 0.000 0.814 542 V CB 1.606 33.370 31.823 -0.098 0.000 1.021 542 V HN 0.007 nan 8.190 nan 0.000 0.440 543 E N 3.870 124.061 120.200 -0.016 0.000 2.158 543 E HA 0.083 4.433 4.350 -0.000 0.000 0.191 543 E C 0.085 176.804 176.600 0.199 0.000 0.982 543 E CA 1.111 57.575 56.400 0.107 0.000 0.823 543 E CB 0.423 30.240 29.700 0.195 0.000 0.766 543 E HN 0.722 nan 8.360 nan 0.000 0.468 544 F N -0.428 119.509 119.950 -0.023 0.000 2.741 544 F HA 0.416 4.943 4.527 -0.000 0.000 0.311 544 F C -2.009 173.768 175.800 -0.039 0.000 1.149 544 F CA -1.281 56.703 58.000 -0.025 0.000 0.930 544 F CB 1.203 40.185 39.000 -0.030 0.000 1.312 544 F HN -0.191 nan 8.300 nan 0.000 0.450 545 E N 0.919 121.100 120.200 -0.032 0.000 2.352 545 E HA 0.572 4.922 4.350 -0.000 0.000 0.280 545 E C -2.151 174.499 176.600 0.082 0.000 0.930 545 E CA -1.220 55.097 56.400 -0.139 0.000 0.765 545 E CB 2.437 32.048 29.700 -0.148 0.000 1.219 545 E HN 0.600 nan 8.360 nan 0.000 0.434 546 V N 2.790 122.743 119.914 0.065 0.000 2.408 546 V HA 0.074 4.194 4.120 -0.000 0.000 0.267 546 V C 0.318 176.444 176.094 0.053 0.000 1.047 546 V CA -0.685 61.683 62.300 0.114 0.000 0.937 546 V CB 1.123 33.013 31.823 0.113 0.000 0.999 546 V HN 0.582 nan 8.190 nan 0.000 0.472 547 V N 6.177 126.127 119.914 0.060 0.000 2.475 547 V HA 0.353 4.473 4.120 -0.000 0.000 0.292 547 V C 1.446 177.556 176.094 0.027 0.000 1.003 547 V CA 1.830 64.151 62.300 0.034 0.000 1.120 547 V CB -0.234 31.610 31.823 0.036 0.000 0.937 547 V HN 1.262 nan 8.190 nan 0.000 0.476 548 G N 4.090 112.898 108.800 0.013 0.000 2.391 548 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.204 548 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.204 548 G C 0.004 174.907 174.900 0.005 0.000 1.012 548 G CA -0.118 44.990 45.100 0.013 0.000 0.651 548 G HN 0.633 nan 8.290 nan 0.000 0.494 549 D N 1.834 122.231 120.400 -0.004 0.000 2.390 549 D HA 0.531 5.171 4.640 -0.000 0.000 0.236 549 D C 1.206 177.492 176.300 -0.023 0.000 1.189 549 D CA 0.858 54.847 54.000 -0.018 0.000 0.887 549 D CB 0.808 41.585 40.800 -0.038 0.000 1.198 549 D HN 0.766 nan 8.370 nan 0.000 0.444 550 A N 0.000 122.805 122.820 -0.024 0.000 2.254 550 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 550 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 550 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 550 A HN 0.000 nan 8.150 nan 0.000 0.486